化学家

medchem.md ★ 23.7k

from "K-Dense-AI"

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and

tooluniverse-chemical-compound-retrieval.md ★ 2.4k

from "FreedomIntelligence"

Retrieves chemical compound information from PubChem and ChEMBL with disambiguation, cross-referencing, and quality assessment. Creates comprehensive compound p

rdkit.md ★ 2.2k

from "foryourhealth111-pixel"

Core cheminformatics toolkit for SMILES/SDF/InChI parsing, descriptors (MW, LogP, TPSA), fingerprints, ECFP/Morgan fingerprints, substructure search, 2D/3D gene

medchem.md ★ 2.1k

from "foryourhealth111-pixel"

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and

tooluniverse-chemical-compound-retrieval.md ★ 1.4k

from "mims-harvard"

Retrieve chemical compound data from PubChem and ChEMBL with disambiguation, cross-referencing, and stereochemistry handling. Use for resolving compound names t

tooluniverse-binder-discovery.md ★ 1.4k

from "mims-harvard"

Discover novel small molecule binders for protein targets using structure-based and ligand-based approaches. Creates actionable reports with candidate compounds

tooluniverse-small-molecule-discovery.md ★ 1.4k

from "mims-harvard"

Find, characterize, and source small molecules for chemical biology and drug discovery. Covers compound identification (PubChem, ChEMBL), structure search, bind

tooluniverse-organic-chemistry.md ★ 1.4k

from "mims-harvard"

Teaches reasoning strategies for organic chemistry problems — reaction product prediction, spectroscopy interpretation, stereochemistry, and quantitative calcul

tooluniverse-chemical-compound-retrieval.md ★ 1.4k

from "mims-harvard"

Retrieves chemical compound information from PubChem and ChEMBL with disambiguation, cross-referencing, and quality assessment. Creates comprehensive compound p

tooluniverse-chemical-sourcing.md ★ 1.4k

from "mims-harvard"

Find commercial sources for chemical compounds using ZINC, Enamine, eMolecules, and Mcule. Covers compound identification, vendor search, pricing, analog discov

tooluniverse-inorganic-physical-chemistry.md ★ 1.4k

from "mims-harvard"

Inorganic chemistry, physical chemistry, and materials science — crystal structures, coordination chemistry, bonding theory (covalency, orbital mixing), symmetr

chembl-skill.md ★ 1.2k

from "openai"

Submit compact ChEMBL API requests for activity, molecule, target, mechanism, and text-search endpoints. Use when a user wants concise ChEMBL summaries

pubchem-pug-skill.md ★ 1.2k

from "openai"

Submit compact PubChem PUG REST requests for compound properties, descriptions, assay summaries, and substance metadata. Use when a user wants concise PubChem s

chebi-skill.md ★ 1.2k

from "openai"

Submit compact ChEBI 2.0 API requests for chemical search, compound lookup, ontology traversal, and structure metadata. Use when a user wants concise ChEBI summ

rdkit.md ★ 1.2k

from "benchflow-ai"

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generatio