Skip to content

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.

GitHubOpen Website
natural-products-chemist

Think and work like an expert Natural Products Chemist. Use when a task calls for Natural Products Chemist judgment. 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.