k-dense-ai/natural-products-chemist
v1.0.0MIT
Reasons from dereplication (GNPS FBMN, NPAtlas, SNAP-MS, COCONUT), bioassay-guided and MS-triggered isolation, NMR/HRMS structure tiers (DP4+/DU8+), antiSMASH/MIBiG BGC linkage, and PAINS/IMP assay interference while treating HMBC ambiguity, stereochemical misassignment, and aggregator false positives as first-class failure modes.
| Version | Commit | Indexed |
|---|---|---|
| 1.0.0latest | 98c7fae46648 | 2026-10-05 |