Results for “chembl”

Primary Python tool for 40+ bioinformatics services. Preferred for multi-database workflows: UniProt, KEGG, ChEMBL, PubChem, Reactome, QuickGO. Unified API for queries, ID mapping, pathway analysis. For direct REST control, use individual database skills (uniprot-database, kegg-database).

CROssBAR Data API skill. Use when working with CROssBAR Data for activities, assays, drugs. Covers 13 endpoints.

Use a live Jupyter kernel for stateful, iterative Python execution via hamelnb. Load this skill when the task involves exploration, iteration, or inspecting intermediate results — data science, ML experimentation, API exploration, or building up complex code step-by-step. Uses terminal to run CLI commands against a live Jupyter kernel. No new tools required.

Interact with the X (Twitter) API through the xurl CLI, covering posting, reading, searching, engagement, and account management.

Query BindingDB for measured protein-ligand binding affinities (Ki, Kd, IC50, EC50) via its keyless REST API or the full TSV download, searching by target (UniProt ID), compound (SMILES), or pathogen. Use when looking up experimental binding constants, profiling inhibitors of a protein target, doing lead optimization, polypharmacology analysis, or structure-activity relationship (SAR) studies; for curated bioactivity mining or drug-like compound library screening at scale prefer alterlab-chembl instead. Part of the AlterLab Academic Skills suite.