Alexander Wirth commited on
Commit
33ba534
·
1 Parent(s): 3d1d482

feat: sync all files to v2.3 — samples, docs, notebook, DOI 19265853

Browse files

- ethno_sample_400.json: regenerated from v2.3 master (400 records, 10 fields)
- ethno_sample_400.parquet: regenerated from v2.3 master
- noise_exclusion_list.txt: updated header to v2.3 (116 entries, 5,287 matching records)
- UPDATE_POLICY.md: v2.2 → v2.3, added changelog (75.4% coverage, CTS worker)
- quickstart.ipynb: DOI 19265853, 'IP whitespace' → 'Patent-Literature Gap'
- Schema: 76,907 records, 24,746 chemicals, 2,313 species, 10 fields
- Coverage: 75.4% SMILES/CID (up from 71.8%)

UPDATE_POLICY.md CHANGED
@@ -12,12 +12,18 @@ Next scheduled update: Q1 2027.
12
  - PubChem PUG REST API (CID + Canonical SMILES)
13
 
14
  ## Versioning
15
- Current version: v2.2 (March 2026)
16
  All versions are tagged in this repository.
17
 
 
 
 
 
 
 
18
  ## Buyer Notifications
19
  All dataset buyers receive email notification when a new version is available.
20
- Buyers of v2.0 or v2.1 receive the v2.2 update free of charge.
21
 
22
  ## Breaking Changes
23
  Schema changes are announced minimum 30 days in advance via GitHub Discussions.
 
12
  - PubChem PUG REST API (CID + Canonical SMILES)
13
 
14
  ## Versioning
15
+ Current version: v2.3 (March 2026)
16
  All versions are tagged in this repository.
17
 
18
+ ## v2.3 Changelog
19
+ - PubChem CID/SMILES coverage: 75.4% (up from 71.8% in v2.2)
20
+ - CTS worker resolved 997 additional compounds via PubChem PUG-REST name-to-CID
21
+ - 2,741 records improved in correction pass
22
+ - DOI: 10.5281/zenodo.19265853
23
+
24
  ## Buyer Notifications
25
  All dataset buyers receive email notification when a new version is available.
26
+ Buyers of v2.0, v2.1, or v2.2 receive the v2.3 update free of charge.
27
 
28
  ## Breaking Changes
29
  Schema changes are announced minimum 30 days in advance via GitHub Discussions.
ethno_sample_400.json CHANGED
The diff for this file is too large to render. See raw diff
 
ethno_sample_400.parquet CHANGED
Binary files a/ethno_sample_400.parquet and b/ethno_sample_400.parquet differ
 
noise_exclusion_list.txt CHANGED
@@ -1,4 +1,12 @@
1
- 5
 
 
 
 
 
 
 
 
2
  ACETALDEHYDE
3
  ACETIC-ACID
4
  ACETONE
 
1
+ # Noise Exclusion List — Ethno-API v2.3
2
+ # 116 generic/non-phytochemical entries excluded from analytical queries.
3
+ # These are elements, solvents, macronutrients, and generic categories
4
+ # present in the USDA Dr. Duke source but not meaningful for phytochemical analysis.
5
+ #
6
+ # Dataset: v2.3 (76,907 records, 24,746 unique chemicals, 2,313 species)
7
+ # Matching records in v2.3: 5,287 (93 of 116 entries found in dataset)
8
+ # DOI: 10.5281/zenodo.19265853
9
+ # Last updated: 2026-03-31
10
  ACETALDEHYDE
11
  ACETIC-ACID
12
  ACETONE
quickstart.ipynb CHANGED
@@ -95,10 +95,10 @@
95
  "outputs": [],
96
  "execution_count": null,
97
  "source": [
98
- "# Q17: IP whitespace candidates — high research signal, low patent activity\n",
99
- "# Use case: freedom-to-operate screening\n",
100
  "# Source: duckdb_queries.sql (Team + Enterprise tier)\n",
101
- "whitespace = duckdb.sql(f\"\"\"\n",
102
  " SELECT\n",
103
  " chemical,\n",
104
  " MAX(pubmed_mentions_2026) AS pubmed,\n",
@@ -111,8 +111,8 @@
111
  " ORDER BY research_to_patent_ratio DESC\n",
112
  " LIMIT 10\n",
113
  "\"\"\").df()\n",
114
- "print('IP Whitespace Candidates (high research, low patents):')\n",
115
- "whitespace"
116
  ]
117
  },
118
  {
@@ -185,11 +185,14 @@
185
  " year = {2026},\n",
186
  " publisher = {Ethno-API},\n",
187
  " url = {https://ethno-api.com},\n",
 
188
  " note = {76,907 records, 24,746 unique chemicals, 2,313 plant species,\n",
189
  " 10-column schema with PubMed, ClinicalTrials, ChEMBL, and PatentsView enrichment}\n",
190
  "}\n",
191
  "```\n",
192
  "\n",
 
 
193
  "**Links:** [ethno-api.com](https://ethno-api.com) · [GitHub](https://github.com/wirthal1990-tech/USDA-Phytochemical-Database-JSON) · [HuggingFace](https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON)\n",
194
  "\n",
195
  "\n",
@@ -203,8 +206,7 @@
203
  "| Team | €1,349 netto | [**Buy →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=notebook&utm_campaign=launch_2026_03) |\n",
204
  "| Enterprise | €1,699 netto | [**Contact →**](mailto:founder@ethno-api.com) |\n",
205
  "\n",
206
- "> Gemäß § 19 UStG keine Umsatzsteuer.\n",
207
- ""
208
  ]
209
  }
210
  ]
 
95
  "outputs": [],
96
  "execution_count": null,
97
  "source": [
98
+ "# Q17: Patent-Literature Gap candidates — high research signal, low patent activity\n",
99
+ "# Use case: IP-Literature Discrepancy screening for drug discovery pipeline gaps\n",
100
  "# Source: duckdb_queries.sql (Team + Enterprise tier)\n",
101
+ "gap_candidates = duckdb.sql(f\"\"\"\n",
102
  " SELECT\n",
103
  " chemical,\n",
104
  " MAX(pubmed_mentions_2026) AS pubmed,\n",
 
111
  " ORDER BY research_to_patent_ratio DESC\n",
112
  " LIMIT 10\n",
113
  "\"\"\").df()\n",
114
+ "print('Patent-Literature Gap Candidates (high research, low patents):')\n",
115
+ "gap_candidates"
116
  ]
117
  },
118
  {
 
185
  " year = {2026},\n",
186
  " publisher = {Ethno-API},\n",
187
  " url = {https://ethno-api.com},\n",
188
+ " doi = {10.5281/zenodo.19265853},\n",
189
  " note = {76,907 records, 24,746 unique chemicals, 2,313 plant species,\n",
190
  " 10-column schema with PubMed, ClinicalTrials, ChEMBL, and PatentsView enrichment}\n",
191
  "}\n",
192
  "```\n",
193
  "\n",
194
+ "[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19265853.svg)](https://zenodo.org/records/19265853)\n",
195
+ "\n",
196
  "**Links:** [ethno-api.com](https://ethno-api.com) · [GitHub](https://github.com/wirthal1990-tech/USDA-Phytochemical-Database-JSON) · [HuggingFace](https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON)\n",
197
  "\n",
198
  "\n",
 
206
  "| Team | €1,349 netto | [**Buy →**](https://buy.stripe.com/14AdR8bkX8kHelQ0zCebu07?utm_source=github&utm_medium=notebook&utm_campaign=launch_2026_03) |\n",
207
  "| Enterprise | €1,699 netto | [**Contact →**](mailto:founder@ethno-api.com) |\n",
208
  "\n",
209
+ "> Gemäß § 19 UStG keine Umsatzsteuer."
 
210
  ]
211
  }
212
  ]