v2.4.0: DOI 10.5281/zenodo.19660107, Build vs Buy EUR, schema 16 cols, partner fields

- DOI: 19265853 → 19660107 across all files (README, llms.txt, UPDATE_POLICY, noise_exclusion_list, quickstart)
- Build vs Buy: €80/hr, ~180h/~120h, ~€16,900/~€11,300 (was $85/hr, $4,080-$5,100)
- Schema table: +partner_cid, +inchi_key, +iupac_verified, +partner_match_method
- YAML dataset_info: 4 new feature columns
- Sample record: 16 fields
- UPDATE_POLICY: v2.4.0 changelog, buyer notification updated
- METHODOLOGY: title v2.4.0, 16 fields

METHODOLOGY.md

@@ -1,6 +1,6 @@
 # Methodology — Ethno-API Phytochemical Dataset v2.4.0
 
-> **Schema v2.4.0 · 76,907 records · 24,746 compounds · 2,313 species · 12 fields**
+> **Schema v2.4.0 · 76,907 records · 24,746 compounds · 2,313 species · 16 fields**
 
 ---
 

README.md

@@ -78,7 +78,7 @@ dataset_info:
 If you use this dataset in your research, please cite:
 
 ```
-Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.4.0 (Sample). Zenodo. https://doi.org/10.5281/zenodo.19265853
+Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.4.0 (Sample). Zenodo. https://doi.org/10.5281/zenodo.19660107
 ```
 
 ---
@@ -92,7 +92,7 @@ Wirth, A. (2026). USDA Phytochemical Database — Enriched v2.4.0 (Sample). Zeno
 [![Full Dataset](https://img.shields.io/badge/Full%20Dataset-76%2C907%20rows-blue)](https://ethno-api.com)
 [![Format](https://img.shields.io/badge/Format-JSON%20%2B%20Parquet-orange)](https://ethno-api.com)
 [![HuggingFace](https://img.shields.io/badge/%F0%9F%A4%97%20HuggingFace-Dataset-yellow)](https://huggingface.co/datasets/wirthal1990-tech/USDA-Phytochemical-Database-JSON)
-[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19265853.svg)](https://zenodo.org/records/19265853)
+[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19660107.svg)](https://zenodo.org/records/19660107)
 
 [**Free 400-Row Sample ↓**](#quickstart) · [**Single €699 →**](https://buy.stripe.com/00w6oGgFh58v6Toeqsebu02?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [**Team €1,349 →**](https://buy.stripe.com/dRm7sK9cP1Wj0v06Y0ebu03?utm_source=github&utm_medium=readme&utm_campaign=launch_2026_03) · [**Enterprise — Contact us →**](mailto:founder@ethno-api.com?subject=Enterprise%20License%20Inquiry)
 
@@ -137,6 +137,10 @@ Full methodology is documented in `METHODOLOGY.md`. Known limitations are listed
 | `canonical_smiles` | `string` | ~28.2% | Canonical SMILES notation — molecular structure from PubChem (75.4% of unique compounds resolved in v2.4/v2.4.0) |
 | `compound_type` | `string` | 0% | Classification: `discrete_phytochemical`, `substance_class`, `complex_mixture`, `inorganic_element`, `generic_ambiguous` — added in v2.4.0 |
 | `patent_count_method` | `string` | ~0.9% | Query methodology: `name_based_with_cid`, `name_based_no_cid`, `name_based_invalidated`, `NULL` — added in v2.4.0 |
+| `partner_cid` | `int64` | ~98% | Cross-matched PubChem CID from COCONUT/FooDB partner databases — added in v2.4.0 |
+| `inchi_key` | `string` | ~99.4% | InChI key for structural identification — added in v2.4.0 |
+| `iupac_verified` | `int64` | ~99.4% | PubChem CID verified via IUPAC name resolution — added in v2.4.0 |
+| `partner_match_method` | `string` | ~98% | Cross-match methodology: `exact_cid_match`, `iupac_resolution`, `NULL` — added in v2.4.0 |
 
 ---
 
@@ -156,9 +160,9 @@ Full methodology is documented in `METHODOLOGY.md`. Known limitations are listed
 
 Normalising and cross-referencing **24,746 phytochemicals** across multiple authoritative sources is not a weekend project.
 
-| Scope | Effort | Cost @ $85/hr |
-|------|------:|---------------:|
-| USDA cleaning + normalization + enrichment + exports + QA | **48–60h** | **~$4,080–$5,100** |
+| Scope | Without AI | With AI (2026) | Cost @ €80/hr |
+|------|------:|------:|---------------:|
+| USDA cleaning + normalization + enrichment + exports + QA | ~180 hrs | ~120 hrs | **~€16,900 / ~€11,300** |
 
 **This dataset: €699 (one-time). No subscription. No API calls. Download link sent instantly after payment. Valid for 72 hours. See ethno-api.com.**
 
@@ -352,12 +356,12 @@ Ethno-API is the deterministic answer to these pipeline requirements.
   year      = {2026},
   publisher = {Ethno-API},
   url       = {https://ethno-api.com},
-  doi       = {10.5281/zenodo.19265853},
+  doi       = {10.5281/zenodo.19660107},
   note      = {76,907 records, 24,746 unique chemicals, 2,313 plant species, 16-column schema with PubMed, ClinicalTrials, ChEMBL, PatentsView, PubChem CID/SMILES enrichment}
 }
 ```
 
-[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19265853.svg)](https://zenodo.org/records/19265853)
+[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19660107.svg)](https://zenodo.org/records/19660107)
 
 ## Contact
 

UPDATE_POLICY.md

@@ -15,23 +15,32 @@ Next scheduled update: Q1 2027.
 Current version: v2.3.1 (April 2026)
 All versions are tagged in this repository.
 
+## v2.4.0 Changelog
+- Added partner_cid column (cross-matched PubChem CID from COCONUT/FooDB)
+- Added inchi_key column (InChI key for structural identification)
+- Added iupac_verified column (PubChem CID verified via IUPAC name resolution)
+- Added partner_match_method column (cross-match methodology transparency)
+- Null-CID reduced to 17,616 (-8% vs v2.3.1)
+- Schema expanded from 12 to 16 columns
+- DOI: 10.5281/zenodo.19660107
+
 ## v2.3.1 Changelog
 - Added compound_type column (5 categories: discrete_phytochemical, substance_class, complex_mixture, inorganic_element, generic_ambiguous)
 - Added patent_count_method column (query methodology transparency)
 - RESIN/RESINS CID correction (CID 133110026 was alpha-Copaene, set to NULL)
 - Forensic audit corrections for inorganic/generic compounds
 - PubChem CID/SMILES coverage: 75.4% (unchanged from v2.3)
-- DOI: 10.5281/zenodo.19265853
+- DOI: 10.5281/zenodo.19660107
 
 ## v2.3 Changelog
 - PubChem CID/SMILES coverage: 75.4% (up from 71.8% in v2.2)
 - CTS worker resolved 997 additional compounds via PubChem PUG-REST name-to-CID
 - 2,741 records improved in correction pass
-- DOI: 10.5281/zenodo.19265853
+- DOI: 10.5281/zenodo.19660107
 
 ## Buyer Notifications
 All dataset buyers receive email notification when a new version is available.
-Buyers of v2.0, v2.1, v2.2, or v2.3 receive the v2.3.1 update free of charge.
+Buyers of v2.0, v2.1, v2.2, v2.3, or v2.3.1 receive the v2.4.0 update free of charge.
 
 ## Breaking Changes
 Schema changes are announced minimum 30 days in advance via GitHub Discussions.

llms.txt

@@ -12,8 +12,8 @@ citation counts, ClinicalTrials.gov study counts,
 ChEMBL bioactivity measurements, USPTO patent 
 counts since 2020, and PubChem CID/canonical 
 SMILES. 76,907 records, 24,746 unique compounds, 
-2,313 plant species. JSON (35 MB) + Parquet 
-(1.3 MB). DOI: 10.5281/zenodo.19265853.
+2,313 plant species. JSON (41 MB) + Parquet 
+(1.3 MB). DOI: 10.5281/zenodo.19660107.
 
 # SCHEMA (v2.4.0, 16 columns)
 - chemical: compound name (USDA Duke nomenclature)
@@ -35,7 +35,7 @@ SMILES. 76,907 records, 24,746 unique compounds,
 - GitHub repository: https://github.com/wirthal1990-tech/USDA-Phytochemical-Database-JSON
 - HuggingFace: https://huggingface.co/datasets/wirthal1990-tech/usda-phytochemical-ethnobotanical-database
 - Kaggle notebook: https://www.kaggle.com/code/alexanderwirth/usda-phytochemical-database-patent-literature-gap
-- Zenodo DOI: https://doi.org/10.5281/zenodo.19265853
+- Zenodo DOI: https://doi.org/10.5281/zenodo.19660107
 
 # PRICING
 - Single license: EUR 699 (1 entity, perpetual)
@@ -81,7 +81,7 @@ Full methodology: https://github.com/wirthal1990-tech/USDA-Phytochemical-Databas
 # CITATION
 Wirth, A. (2026). USDA Phytochemical & 
 Ethnobotanical Database — Enriched v2.4.0. Zenodo.
-https://doi.org/10.5281/zenodo.19265853
+https://doi.org/10.5281/zenodo.19660107
 
 # New in v2.4.0 — COCONUT/Partner DB Crossmatch
 partner_cid: FLOAT — PubChem CID from COCONUT/partner DB crossmatch (1,534 filled)

noise_exclusion_list.txt

@@ -5,7 +5,7 @@
 #
 # Dataset: v2.3.1 (76,907 records, 24,746 unique chemicals, 2,313 species)
 # Matching records in v2.3.1: 5,287 (93 of 116 entries found in dataset)
-# DOI: 10.5281/zenodo.19265853
+# DOI: 10.5281/zenodo.19660107
 # Last updated: 2026-03-31
 ACETALDEHYDE
 ACETIC-ACID

quickstart.ipynb

@@ -5,7 +5,7 @@
    "id": "cell-01",
    "metadata": {},
    "source": [
-    "# USDA Phytochemical & Ethnobotanical Database — Enriched v2.3.1\n",
+    "# USDA Phytochemical & Ethnobotanical Database — Enriched v2.4.0\n",
     "\n",
     "**76,907 records · 24,746 compounds · 2,313 species · 5 enrichment layers**\n",
     "\n",
@@ -29,7 +29,7 @@
     "import duckdb\n",
     "\n",
     "# Load the free 400-row sample\n",
-    "# To use full dataset: replace path with 'ethno_dataset_2026_v2.3.1.json'\n",
+    "# To use full dataset: replace path with 'ethno_dataset_2026_v2.4.0.json'\n",
     "SAMPLE = 'ethno_sample_400.json'\n",
     "\n",
     "df = pd.read_json(SAMPLE)\n",
@@ -203,19 +203,19 @@
     "## Citation\n",
     "\n",
     "```bibtex\n",
-    "@misc{ethno_api_v2.3.1_2026,\n",
-    "  title     = {USDA Phytochemical \\& Ethnobotanical Database --- Enriched v2.3.1},\n",
+    "@misc{ethno_api_v2.4.0_2026,\n",
+    "  title     = {USDA Phytochemical \\& Ethnobotanical Database --- Enriched v2.4.0},\n",
     "  author    = {Wirth, Alexander},\n",
     "  year      = {2026},\n",
     "  publisher = {Ethno-API},\n",
     "  url       = {https://ethno-api.com},\n",
-    "  doi       = {10.5281/zenodo.19265853},\n",
+    "  doi       = {10.5281/zenodo.19660107},\n",
     "  note      = {76,907 records, 24,746 unique chemicals, 2,313 plant species,\n",
     "               12-column schema with PubMed, ClinicalTrials, ChEMBL, PatentsView, and PubChem enrichment}\n",
     "}\n",
     "```\n",
     "\n",
-    "[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19265853.svg)](https://zenodo.org/records/19265853)\n",
+    "[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.19660107.svg)](https://zenodo.org/records/19660107)\n",
     "\n",
     "**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",
     "\n",