prompt large_stringlengths 580 1.68k | completion stringclasses 2
values | metadata dict |
|---|---|---|
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Br[C@@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H](Br)[C@H](Br)CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2a3e3fbf95d19de08ebc2f4639a043fa7fdbddcb",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Br[C@@H]1CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@@H](Br)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "6ea08c5e97876e465baf95ead240511d7ec5c29f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
- known value: 88 ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "092e7d279d5012d037c13bdc28077a85acf96ee0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0db98d0a0defc5825c83c57eea54c52e530446a3",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "201e92b2eaf1bbf5bd0dedbc6f945f40aa750eb3",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34
- known value:... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02417dacea28b38548692fad8c265ae6f5bc2c8a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(CCCC(C)C)C8(O)CCC... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "623ca6750e934615ac452931bdad9139a948ffff",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_basis":... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02b1599277ccb65da67d2426366c781bc077cb2c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "28bec7c14f8e9c23ec5c338446a56ab660bb3781",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0d86876bd8ac623e08fd290c8e76375dfa4eee45",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4996c724adcb02841c12b8ed9e260f604954ac8d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCCCCC/C=C/C=C/C(=O)NCC(C)C
- known value: 5 percent... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "212ee672e37e38b8caf015d936e1b0629a62e62d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0084f898bbba7b8c85e13ca93851004433d13cb0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
- known value... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4606bb9659dd7c2b34729333589886585e1e95db",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
- known value: 4.189e-05 cm_per_second
- assay sys... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "aee48ca007eb5dc66ebdac65cc8435c9a8f10d84",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: OC1CCCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)C1
- known value: 247 um
- assay system: aqueou... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "252787356c654def04254f68aac16fdbd9c50906",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 70 percent
- ass... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "078010690e3d4bc08b27a1a1b81fa2fb061c648a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(CN4CCCCC4)CC3)cc2)c1
- known value: 162 um
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "68962dd35613519a2a235546552d49398d44967d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(N4CCCCC4)CC3)cc2)c1
- known value: 202 um
- assay system: s... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "258c995cd66b140afeeb1041996d958ca30fb5c9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Nc1cccc(-c2ccc(NC(=O)N3CCC(CN4CCCCC4)CC3)cc2)c1
- known value: 162 um
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2a1c601e8ea63122934f83cf14e0c5a866d9141a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"metric... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "1a5167e615a51b0cd6bc9d47231f1efa3e10c224",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ab9d70893d9d15a73b64baad24681aa1aff8680",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "ug_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "22678a5d28c5f16e1382ad0c43aef1519a1296de",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "ug_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-4_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "02143b34b9c465698b841bb61fc5d742d0476136",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-4_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "04666bd933e13e96bd5ba574b11264c8925f8c39",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0630239ddeddfa22ec7b632ae82afb867beb231e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "3fcab074c49e23a030a5e5f2cb6fae305888b63e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
- known value: ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "099bfd96687e7afd0db85aedc7c022d0d968f2d1",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21
- ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "013ba8ae168c3a8b4d3b11b1576b17ead08de3c8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 50.7 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "006911b310348afd09daaf92539d927f1e5c97d5",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 41.4 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "01ca66f537f36a07d1faa08714825c51f4bfacf1",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)c1ccccc1O
- known value: 3.3 percent
- assay sy... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "048d7f6748bc2d4d639332b01ec018a514cd832d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=O)Oc1ccccc1C(=O)O
- known value: 3.3 percent
- as... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "1ae3e43342c393f0b1c39ff245ac6063b77cda58",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C([O-])[O-].[Ca+2]
- known value: 27.42 percent
- a... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "031d41f77bdab9ad7e5c527026de362735f1904a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "34186310b13c3d3c4bbffb8287531c59e191e8b6",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "18201160334f6646fc98fbb709d8da49a871d84d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "001f92ad41170f64e5e4decbd3e863e4bbd84919",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "24286266a420283ad93a7fefbbe420c3b6f41bf2",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "125d0703a799e0e0bec4f41a0a4889e40223e789",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "44bd32704c7e8ef8b0801bb70533a02431403875",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ebb28f5209cc2905cc75ee62c0f9f5245dce586",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in x10_4_cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "84c2fb698c0b3ab1545eb7badc958a05d8e2d87a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.x10_4_cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_b... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0bc30696b7d169d5ca49d7956892df4906158601",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C(O)/C=C/c1ccc(O)cc1
- known value: 73.3 percent
- ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2c30447b5b004e8e72f8773f6996dd6aa1cdf14c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "047dbd901693b5cf76cbce6f1e4a450920b7846a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCC)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0f31e25ad1eb7c0968991d0d8f9288376bd3f27b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCC)... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "118fae5429b77041d0aa7107b29f0180fbb9fc68",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "00c5fe96233177d7b904888dd4a30b4f4a0888c8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "100c79610259f71bacb5d1f551ce3417924aaa5b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3oc(=O)oc3C(C)(C)C)=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "180c042731d844123cf31dbb19246dcffcf316d2",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "05094135607bc0ef5961ec6d3ad98535f93d8626",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2e3036de99cf4be9114d03b06e9633747ef091f9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "df5f2fc98018d91929b5fc15581ae0fb529e4770",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "9e9426b1a1e24a69dea105754b7d75d202f28bcd",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-4_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](N)C(=O)O
- known value: 0.71 1e-4_cm_per_second
- assay system: Ussing ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "05a046b57e5c4e2208aa4cba2dcd6354574f091f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-4_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: NC(=O)CC[C@H](N)C(=O)O
- known value: 1.3 percent
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0218d770651678e7697ab44e6bb98f2d86758fc4",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)O.C[As](=O)([O-])[O-].[Na+].[Na+]
- known value: 5e-06 cm_per_second
-... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "d438cda044d9d7e63ef992fed4c205fa55d83299",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: N[C@H](Cc1ccccc1)C(=O)O
- known value: 48.5 percent
-... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "10b63ade85d40624f60a1b7063d9390ac349b009",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "5d78feaf37f70ba5e4c52acb517a71929ff581fe",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in mg_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.O.O.[Na+]
- known value: 34.5 mg_ml
- assay system: equilib... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "21311924199bfc8f827e46735a6b424e9d69b396",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.mg_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "mg_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in mg_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O
- known value: 30.2 mg_ml
- assay system: ... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "595623ed6225c33f0506e784a946ff3d8f87bc0e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.mg_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "mg_ml",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1oc(=O)oc1COC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3c... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0a8a256c62d6559d211073d101599bc6485ff198",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
- known value: 4.189e-05 cm_per_second
- assay sys... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "749aea495bd3fcb34ea738130ce2d22fb1320d9e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)NCC(=O)O
- known value: 3.01e-06 cm_per_second
- assay system: Caco-2 ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "98a2f90d87a06d85863b9558dbf2c2b8bd32dee0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C
- known value: 4.189e-05 cm_per_second
- assay sys... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "31431d6c1fd704623e16577b5db524c203602625",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0e1d366c90dab84c944c27c0e2028cd04134abcf",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2
- known value: 9.04e-05 cm_per_se... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2cd74a0600a1e3c50de1ddd32d9c1e1c1d1868f8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2
- known value: 9.04e-05 cm_per_se... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "40ae117a618905317ce82ed93d5ce1c769305db5",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(OC3=O)C2O
- known value: 1.92e-06 cm_per_second
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ec7e3c77b8ea1b07470e9cad92d9e3b8981591e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(OC3=O)C2O
- known value: 1.92e-06 cm_per_second
- a... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "38efb600e2cdf947f7d9ee7650063d70e4d0d023",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCC)c3... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0f03190a8fb0a6562ca81469b4159d242bf04060",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: O=C([O-])C(O)C(O)C(=O)[O-]
- known value: 1.9 percent... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "41e512e4908ae8ea854d3f1081f939819b45149f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: OC[C@@H](O)[C@@H](O)CO
- known value: 87.9 percent
- ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "3694b3a5e1c8d0db5c6236c82c7059114d5c7565",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CNc1cc(N2CCC3(CC2)CN(c2cc(F)c(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1
- known value: 54 um
- assay sy... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "17046282523f0d81f8d9c3dcfdd28ea496ef27db",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.um",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "um",
"metric_type": ... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CNc1cc(N2CCC3(CC2)CN(c2cc(F)c(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1
- known value: 54 um
- assay sy... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "1b44c368534de09643498461e2574d979a12e52f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.um",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "um",
"metric_type": ... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CNc1cc(N2CCC3(CC2)CN(c2ccc(CN4CCC(C)(C)CC4)c(F)c2)CC(=O)N3)ncn1
- known value: 92 um
- assay sys... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "07b9be0a529422ff78b74aa074c941ba23414dd0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.um",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "um",
"metric_type": ... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "6dd110db603c1ef32a58462d18908ead1638afce",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H]... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "c4043d43aa9ab1db715a26931ca1476da564e7bf",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H]... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4064009fd0bb9f2133ae66329dae711ffbd157a8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "15df9d8a352a5d7f3aed02517b159f83d1ea1f21",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0ac0bac3cb1743f07548d53dfd74c7005ba4b4b7",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H]... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2f5b910bc13e523d2cd78eb4c7cc028030f690a9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "2ded65c0c68e52180d36aec2aacbbe0a0fca6b9a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "9d8ffbb2f5c9f95ab4b1f0467224d87ce558c6bd",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "081981d52f7b3c1ba08cdf40604e93227623bc3a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc([N+](=O)[O-])nc2O1
- known value: 2.3 ug_ml
- assay system: ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "347b1cbbe55668132fd9c224824d81e22c392d43",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "ug_ml",
"metric_t... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cc1)CC2
- known value: 0.055 ug_ml
- assay syst... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "3e8a58c197c575a561481bf0ba3c11793424745c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "ug_ml",
"metric_t... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)CC2
- known value: 0.13 ug_ml
- ass... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0db2150f23318f8c6c8efc78ce3b5ea6b1c2cfa3",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "ug_ml",
"metric_t... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "4152298e997687c279f31f0ef147121b5d873d70",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- SMILES: CC(=CC(=O)O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
- known value: 0.0001 cm_per_second
- assay... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "62ecad809faae76332317af14fbb73deda065609",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC(=CC(=O)O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
- known ... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "754eeba8270d01f134e6327de1915e454a2d951f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "078346eae0d437b3dff0e5ea185f74d7953203eb",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "3d66de39b817dc0ae7d167113c5090ee6a028c3c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1ccc... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "669cd2e7f6d7aa6ea851d1b60d3a0da3b388f2d5",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "016d87a5e7ddbd6ac7fe33a1917775d2f939d58b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "b2279ce1d5c79b19780c07b7812d239cdc4c53b9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0122574c6e061e381177f232b13ada81fdc1aae6",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "023bf8302bb2cac3de4f231a240aaaf0f4acc815",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | B | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "11d5f653942595551f8eb63b91b9e9ca1d3b4417",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=... | A | {
"schema_version": "assay_transfer_binary_v3",
"candidate_id": "0d14be15538ce0d6001c7737d3c10e4e32e3d84c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fraction_abs... |
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