id stringlengths 2 7 | problem stringlengths 95 460 | solution stringclasses 2
values | problem_type stringclasses 1
value | group stringclasses 1
value |
|---|---|---|---|---|
3665915 | In the OT_ER_ERaERb_0480 OregonTox receptor–co-activator assay, does the molecule CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3076660 | In the BSK_SAg_IL8_up BioSeek primary-cell biomarker panel, does the molecule Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O.Cl show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3459029 | Is C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O, given as a SMILES string, classified as toxic in the ATG_Xbp1_CIS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4371657 | Given a compound's SMILES string, does Cc1cc(C)nc(Nc2ccccc2)n1 produce a positive toxicity call in the ATG_RORg_TRANS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
387636 | In the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+] show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1296079 | Is O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1, given as a SMILES string, classified as toxic in the ATG_FoxO_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3431445 | Does the compound NCc1ccccc1 result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
85603 | Is C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O, given as a SMILES string, classified as toxic in the APR_HepG2_CellCycleArrest_72h_dn APR high-content imaging assay (HepG2 cells)? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5188402 | Given a candidate compound's SMILES string, is the compound CC(C)C(=O)C(C)C toxic in the ATG_GLI_CIS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5031528 | Does the compound Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C result in a positive toxicity outcome in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4839206 | In the ATG_RXRa_TRANS_dn Attagene reporter-gene assay, does the molecule C=CC(=O)OCCCCOC(=O)C=C show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5029076 | Given a candidate compound's SMILES string, is the compound Cc1ccc(C)c(S(=O)(=O)O)c1 toxic in the TOX21_p53_BLA_p5_ch1 assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1044801 | Does the compound CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1 result in a positive toxicity outcome in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1388810 | Given a compound's SMILES string, does COS(=O)(=O)C(F)(F)F produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1675828 | Given a compound's SMILES string, does COc1ccc2nc(N)sc2c1 produce a positive toxicity call in the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2105279 | Given a compound's SMILES string, does CCCOCCO produce a positive toxicity call in the ATG_RARb_TRANS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
787753 | Does the compound CC(=O)Nc1ccc(N)cc1 result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
709174 | Given a compound's SMILES string, does Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl produce a positive toxicity call in the BSK_LPS_Eselectin_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
63641 | Does the compound CNC.O=C(O)COc1ccc(Cl)cc1Cl result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ch1 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
591942 | In the ATG_C_EBP_CIS_dn Attagene reporter-gene assay, does the molecule FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2840576 | Does the compound N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O result in a positive toxicity outcome in the ATG_M_32_CIS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3937970 | Is O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Zn+2], given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4044776 | Is O=[N+]([O-])c1ccc([O-])cc1.[Na+], given as a SMILES string, classified as toxic in the BSK_CASM3C_LDLR_down BioSeek primary-cell biomarker panel? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4126417 | Does the compound O.O.O.O.O=S(=O)([O-])[O-].[Be+2] result in a positive toxicity outcome in the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
562025 | Given a compound's SMILES string, does O=P(O)(O)CCCl produce a positive toxicity call in the ATG_GATA_CIS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4278528 | Does the compound O=C(O)c1cc(O)c2c(c1)O[Bi](O)O2 result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2530461 | Is CN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1, given as a SMILES string, classified as toxic in the ATG_CRE_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3293049 | Does the compound C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C result in a positive toxicity outcome in the ATG_FoxA2_CIS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
675815 | Given a compound's SMILES string, does CCC(C)CCCC(C)(C)O produce a positive toxicity call in the ATG_RORg_TRANS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1046934 | In the BSK_BE3C_uPAR_down BioSeek primary-cell biomarker panel, does the molecule CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4490828 | Given a compound's SMILES string, does CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O produce a positive toxicity call in the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4210105 | Does the compound C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 result in a positive toxicity outcome in the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
318391 | Given a candidate compound's SMILES string, is the compound CC(=O)OCCOCCOCCOC(C)=O toxic in the TOX21_p53_BLA_p5_ch2 assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
545136 | In the TOX21_p53_BLA_p3_viability NIH/EPA Tox21 reporter-gene assay, does the molecule Cc1cc(C)c(N)cc1C show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3518144 | In the TOX21_VDR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5065693 | In the ATG_BRE_CIS_dn Attagene reporter-gene assay, does the molecule CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1570884 | Is CCCCCCCCCCCC(=O)N(CCO)CCO, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3146666 | Given a candidate compound's SMILES string, is the compound CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O toxic in the ATG_TA_CIS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5371511 | Given a compound's SMILES string, does Cc1cc(Cl)ccc1OCCCC(=O)O produce a positive toxicity call in the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3767008 | In the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay, does the molecule O=C([O-])c1ccccc1O.[Na+] show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1049571 | Is O=CC=O, given as a SMILES string, classified as toxic in the ATG_RARa_TRANS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1572233 | In the BSK_hDFCGF_IP10_down BioSeek primary-cell biomarker panel, does the molecule CCOCCOCCOCCO show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3415094 | Is CC/C=C\CCOC(=O)C(C)C, given as a SMILES string, classified as toxic in the ATG_Oct_MLP_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1322387 | Given a candidate compound's SMILES string, is the compound CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1 toxic in the ATG_PXR_TRANS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4460455 | Is COc1ccc(C(C)=O)cc1, given as a SMILES string, classified as toxic in the ATG_Myb_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3992769 | Given a compound's SMILES string, does CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1 produce a positive toxicity call in the TOX21_PPARd_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
39395 | Given a candidate compound's SMILES string, is the compound Brc1ccc(Br)cc1 toxic in the ATG_RXRb_TRANS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4936337 | Given a candidate compound's SMILES string, is the compound CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O toxic in the TOX21_p53_BLA_p5_viability assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2649187 | In the ATG_BRE_CIS_dn Attagene reporter-gene assay, does the molecule O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
168334 | Is Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1661503 | Given a compound's SMILES string, does CC(C)(COC(=O)c1ccccc1)COC(=O)c1ccccc1 produce a positive toxicity call in the BSK_KF3CT_MCP1_down BioSeek primary-cell biomarker panel? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5295704 | Is CC(=O)CC(=O)Nc1ccccc1C, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p4_viability NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1858934 | In the TOX21_p53_BLA_p4_viability NIH/EPA Tox21 reporter-gene assay, does the molecule Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
760624 | Given a compound's SMILES string, does CC(=O)C1C(=O)C=C(C)OC1=O produce a positive toxicity call in the ATG_THRa1_TRANS_dn Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2366367 | In the ATG_M_32_TRANS_up Attagene reporter-gene assay, does the molecule CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3807674 | Is CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC, given as a SMILES string, classified as toxic in the BSK_BE3C_HLADR_down BioSeek primary-cell biomarker panel? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5488075 | Given a candidate compound's SMILES string, is the compound CC(=O)CC(C)=O toxic in the TOX21_p53_BLA_p4_ch2 assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
666434 | Given a compound's SMILES string, does CCCCOC(=O)CCCCCCCCC(=O)OCCCC produce a positive toxicity call in the ATG_HNF6_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4765924 | Given a compound's SMILES string, does CC(N)C12CC3CC(CC(C3)C1)C2.Cl produce a positive toxicity call in the TOX21_ARE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4643926 | Is BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br, given as a SMILES string, classified as toxic in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
5469410 | In the TOX21_TR_LUC_GH3_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule CCOC(=O)OCC show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3982771 | Given a candidate compound's SMILES string, is the compound O=C(O)CCCCCCCCCCC(=O)O toxic in the ATG_VDRE_CIS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
67411 | Is C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C, given as a SMILES string, classified as toxic in the ATG_PPRE_CIS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
123727 | In the TOX21_HSE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule C=CCOCC(CC)(CO)COCC=C show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4779899 | Given a candidate compound's SMILES string, is the compound CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+] toxic in the BSK_LPS_Eselectin_down assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4247430 | In the TOX21_GR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4601800 | Given a compound's SMILES string, does N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F produce a positive toxicity call in the Tanguay_ZF_120hpf_OTIC_up zebrafish embryo morphology/behaviour assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4976804 | Does the compound Cc1ccc(S(=O)(=O)O)cc1 result in a positive toxicity outcome in the TOX21_FXR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
710020 | Is Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p4_ch2 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3189957 | In the ATG_PXRE_CIS_up Attagene reporter-gene assay, does the molecule COC(=O)c1ccccc1OC show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
427041 | Is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1, given as a SMILES string, classified as toxic in the NVS_NR_bER Novascreen nuclear-receptor binding assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4274936 | Given a candidate compound's SMILES string, is the compound COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl toxic in the APR_Hepat_Steatosis_48hr_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4053677 | In the ATG_Sox_CIS_dn Attagene reporter-gene assay, does the molecule Brc1cc(Br)cc(Br)c1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
206215 | Given a candidate compound's SMILES string, is the compound CCCCNC(=O)OCC#CI toxic in the TOX21_VDR_BLA_antagonist_ratio assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1752674 | In the ATG_STAT3_CIS_up Attagene reporter-gene assay, does the molecule O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3487497 | Given a compound's SMILES string, does CCCCCO produce a positive toxicity call in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4793077 | In the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2412141 | In the APR_HepG2_MitoticArrest_24h_up APR high-content imaging assay (HepG2 cells), does the molecule CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3077216 | Given a candidate compound's SMILES string, is the compound Cn1c(=O)c2[nH]cnc2n(C)c1=O toxic in the TOX21_AutoFluor_HEPG2_Media_blue assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3214521 | Given a compound's SMILES string, does N#Cc1ccc(C(=O)O)cc1 produce a positive toxicity call in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3970051 | Does the compound CN(C)C(=S)[S-].[Na+] result in a positive toxicity outcome in the TOX21_HSE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5165503 | Given a compound's SMILES string, does CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O produce a positive toxicity call in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1816348 | Does the compound CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C result in a positive toxicity outcome in the BSK_SAg_SRB_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
186665 | Given a candidate compound's SMILES string, is the compound CC(=O)OCC(C)OC(C)=O toxic in the ATG_PBREM_CIS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2046258 | Given a candidate compound's SMILES string, is the compound FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F toxic in the ATG_CMV_CIS_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4666936 | Given a candidate compound's SMILES string, is the compound CCCCOCCOCCO toxic in the BSK_CASM3C_uPAR_up assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
502458 | Given a candidate compound's SMILES string, is the compound CCC(C)OC(C)CC toxic in the TOX21_MMP_ratio_down assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
571459 | Does the compound CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1 result in a positive toxicity outcome in the ATG_RARg_TRANS_dn Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
730823 | Is CN(C)C1CSSSC1.O=C(O)C(=O)O, given as a SMILES string, classified as toxic in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4532590 | Given a candidate compound's SMILES string, is the compound II toxic in the TOX21_FXR_BLA_Antagonist_ch2 assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4901890 | Is CN1C(=O)OC(C)(C)C1=O, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1507077 | Is CCCCCCCCCCCCSC, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2571745 | Given a compound's SMILES string, does O=[N+]([O-])c1ccc([N+](=O)[O-])cc1 produce a positive toxicity call in the BSK_KF3CT_MCP1_down BioSeek primary-cell biomarker panel? | No | single_pred_Tox_ToxCast | single_pred_Tox |
1734480 | In the BSK_3C_Proliferation_down BioSeek primary-cell biomarker panel, does the molecule CCCCOC(=O)c1ccccc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3713263 | Given a compound's SMILES string, does CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3488678 | In the ATG_PXR_TRANS_dn Attagene reporter-gene assay, does the molecule CCNc1ccccc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
3360018 | In the ATG_ISRE_CIS_up Attagene reporter-gene assay, does the molecule CN1CCC[C@H]1c1cccnc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
4626284 | Does the compound C1CN2CCN1CC2 result in a positive toxicity outcome in the ATG_E_Box_CIS_up Attagene reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
489970 | In the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 show toxic activity? | No | single_pred_Tox_ToxCast | single_pred_Tox |
2936587 | Is FC(F)(F)c1ccc(Cl)cc1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p2_ch1 NIH/EPA Tox21 reporter-gene assay? | No | single_pred_Tox_ToxCast | single_pred_Tox |
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