Agent skill
SMILES Retriever
Retrieve SMILES strings from PubChem using compound names.
OpenClawData & Analytics
SpectrAI-Initiative397
Apache-2.0View resource
Agent skills
Reusable instructions for compatible AI agents.
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Search resultsAgent skill
PubChem Database
Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.
ClaudeCodexCursorData & Analytics
Activer00714
Agent skill
pubchem-database-skill
Programmatic access to the PubChem database (via PUG-REST API and PubChemPy) for searching chemical compounds, retrieving physicochemical properties, performing structure similarity/substructure searches, and obtaining bioactivity data.
OpenClawData & Analytics
aipoch2,022
Agent skill
Compound Name to SMILES Retrieval
Retrieve SMILES strings from PubChem database using compound names to obtain molecular structures from common chemical names.
OpenClawData & Analytics
SpectrAI-Initiative397
Agent skill
Chemical Patent & Novelty Analysis
Chemical Patent & Novelty Analysis - Analyze chemical novelty: PubChem substructure CAS search, ChEMBL similarity search, compound synonyms, and literature. Use this skill for patent chemistry tasks involving get substructure cas get similarity by smiles get compound synonyms by name search liter...
OpenClawData & Analytics
SpectrAI-Initiative397
Agent skill
PubChem SMILES Search
Search PubChem database using SMILES strings to retrieve compound information and chemical properties.
OpenClawData & Analytics
SpectrAI-Initiative397
Agent skill
Chemical Patent & Novelty Analysis
Chemical Patent & Novelty Analysis - Analyze chemical novelty: PubChem substructure CAS search, ChEMBL similarity search, compound synonyms, and literature. Use this skill for patent chemistry tasks involving get substructure cas get similarity by smiles get compound synonyms by name search liter...
OpenClawData & Analytics
InternScience173
Agent skill
Compound Name to SMILES Retrieval
Retrieve SMILES strings from PubChem database using compound names to obtain molecular structures from common chemical names.
OpenClawData & Analytics
InternScience173
Agent skill
PubChem SMILES Search
Search PubChem database using SMILES strings to retrieve compound information and chemical properties.
OpenClawData & Analytics
InternScience173
Agent skill
DrugBank Database — Local XML Access
Parse local DrugBank XML for drug info, interactions, targets, and properties. Search by ID/name/CAS, extract DDIs with severity, map targets/enzymes/transporters, compute SMILES similarity. Primary via local XML; REST API rate-limited (3k/month dev). For live bioactivity use chembl-database-bioa...
ClaudeCodexOpenClawData & Analytics
jaechang-hits385
CC-BY-4.0View resource
Agent skill
PubChem Compound Search
Query PubChem (110M+ compounds) directly via the PUG-REST/JSON API with plain `requests` — no SDK install required. Search by name/CID/SMILES/InChIKey/formula, retrieve properties (MW, XLogP, TPSA, H-bond counts), do similarity/substructure searches with async ListKey polling, fetch synonyms, des...
ClaudeCodexOpenClawData & Analytics
jaechang-hits385
CC-BY-4.0View resource
Agent skill
PubChem Database
Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.
ClaudeCodexCursorData & Analytics
ljchg12-hue1
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