Search ChEMBL for bioactive compounds and assess drug-likeness.
npx skills add https://github.com/519lab/thoth-agent --skill drug-discovery-519lab
Please help me install this Agent Skill. Skill: drug-discovery Source: https://github.com/519lab/thoth-agent/tree/main/optional-skills/research/drug-discovery Command: npx skills add https://github.com/519lab/thoth-agent --skill drug-discovery-519lab
The drug-discovery skill streamlines the pharmaceutical research process by automating various stages of drug discovery, from compound searching to drug-likeness assessment and interaction analysis.
Use the drug-discovery skill to search for bioactive compounds targeting EGFR.
High-intent search queries and answers about installing and using this skill.
To search for bioactive compounds, query the ChEMBL API by target, activity, or molecule name. This automates compound discovery and retrieves bioactivity data directly for pharmacological analysis.
ADMET analysis evaluates Absorption, Distribution, Metabolism, Excretion, and Toxicity profiles. Drug-likeness is assessed by calculating molecular properties against Lipinski Ro5 and Veber rules to determine bioavailability.
Yes, you can check drug-drug interactions and safety data. The analysis integrates with the OpenFDA API to lookup safety profiles and identify potential adverse interactions before clinical trials.
Yes, you need Python 3 and curl installed. These dependencies are required to execute the scripts that automate API integration with ChEMBL, PubChem, and OpenFDA for cheminformatics analysis.
The best way to automate pharmaceutical research is using an integrated pipeline that searches ChEMBL and PubChem, calculates drug-likeness, and analyzes OpenFDA interactions to streamline the drug discovery process.
Limitations of using PubChem and ChEMBL APIs include dependency on external service availability and rate limits. API constraints may restrict the volume of bioactive compounds you can query simultaneously during drug discovery.
paxlabs-incSearches academic paper metadata via arXiv and Semantic Scholar APIs.
SignmanalQuery ChEMBL, PubChem, OpenFDA, and OpenTargets for bioactivity, drug-likeness, and safety data.
DrugClawAutomate molecular docking workflows with AutoDock Vina, Open Babel, and PyMOL.
omar-A-hassanCompute molecular properties and fingerprints from SMILES strings with RDKit.
