★ 1 · Updated 2026-09-28
Converts SMILES strings or RDKit molecules into fingerprints, descriptors, and pretrained embeddings for molecular machine learning.
Browse skills that share this tag.
★ 1 · Updated 2026-09-28
Converts SMILES strings or RDKit molecules into fingerprints, descriptors, and pretrained embeddings for molecular machine learning.
★ 2 · Updated 2026-09-23
Applies drug-likeness rules, structural alerts, PAINS filters, and complexity metrics for molecular filtering and compound prioritization.
★ 2 · Updated 2026-09-19
Search, retrieve, and download human metabolite data including chemical properties, biomarker associations, spectra, and pathways.
★ 0 · Updated 2026-06-30
Programmatically access DrugBank data to query drug properties, interactions, targets, pathways, chemical structures, and pharmacology for drug discovery research.
★ 22 · Updated 2026-06-30
Provides standardized access to 600+ scientific tools across bioinformatics, cheminformatics, genomics, structural biology, proteomics, and drug discovery.
★ 14 · Updated 2026-06-30
Discover, execute, and compose 600+ scientific tools across bioinformatics, cheminformatics, genomics, and drug discovery domains.
★ 650 · Updated 2026-06-30
Access and analyze drug information including properties, interactions, targets, pathways, and pharmacology from DrugBank
★ 399 · Updated 2026-06-30
Discover, execute, and compose 600+ scientific tools for bioinformatics, genomics, and drug discovery research
★ 0 · Updated 2026-06-30
Query ChEMBL's bioactive molecules and drug discovery data
★ 31,836 · Updated 2026-06-30
Query ChEMBL's bioactive molecules and drug discovery data programmatically