Commit History

v2.4.0: DOI 10.5281/zenodo.19660107, Build vs Buy EUR, schema 16 cols, partner fields
c38e233

Alexander Wirth commited on

release: v2.4.0 — crossmatch pipeline + 4 new columns
95d3fd1

Alexander Wirth commited on

fix: pretty-print JSON indent=2, update SHA-256 hashes and file sizes
e51d668

Alexander Wirth commited on

v2.3.1: Complete channel sync — all files v2.3.1, 12 cols, English-only, pretty-printed samples
ab2b707

Alexander Wirth commited on

fix: audit corrections — schema sample v2.3, deduplicate hash table, HF fallback
fe70633

Alexander Wirth commited on

feat: v2.3 — CTS enrichment pass, coverage 42.4% → 46.4% unique / 71.8% → 75.4% records
b185af3

Alexander Wirth commited on

fix: update all files to v2.2 — 10 fields, 5 sources, correct pricing, new DOI
418ffc5

Alexander Wirth commited on

fix: correct SMILES null count to 14,262 unique chemicals
bce73f2

Alexander Wirth commited on

fix: correct SMILES null count to 14,254 unique chemicals
aa1f5d4

Alexander Wirth commited on

chore: Update documentation for v2.2 release (42.4% SMILES coverage, 76907 records)
a8ca78f

Alexander Wirth commited on

feat: v2.1 — add pubchem_cid + canonical_smiles (10,484 chemicals resolved, 71.8% record coverage)
d1e8d1c

Alexander Wirth commited on

fix: standardize sample license to CC BY 4.0 (consistent with Zenodo)
377e0a9

Alexander Wirth commited on

fix: update all repo files to post-DQA values (76,907 records, 24,746 compounds, 2,313 species)
13c0776

Alexander Wirth commited on

docs: add ChEMBL v35 CC BY-SA 3.0 attribution to README and METHODOLOGY
95957ef

Alexander Wirthal commited on

docs: annotate noise exclusion list with generic biochemical term details (PROTEIN, PROTEINS, WATER, LEAD, GLUCOSE)
1c1be75

Alexander Wirthal commited on

docs: add enrichment methodology and data quality notes
f352557

Alexander Wirthal commited on