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drug-discovery

Integrate ChEMBL, PubChem, OpenFDA, and OpenTargets data to analyze compounds.

150|25|Updated Apr 20, 2026
Search Tags:#bioactivity#cheminformatics#drug-discovery#drug-likeness#admet#medicinal-chemistry
One-click install
npx skills add https://github.com/Devsoul2026/Hermes-One-Click --skill drug-discovery-devsoul2026
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/Devsoul2026/Hermes-One-Click/tree/main/hermes-agent/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/Devsoul2026/Hermes-One-Click --skill drug-discovery-devsoul2026

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes scripts (resource) and references (resource) components.

What problem does it solve?

Pharmaceutical researchers face fragmented data sources and manual calculations to assess drug-likeness and safety. This skill consolidates public bioactivity data, computes Ro5/Veber/QED metrics, and interprets ADMET profiles to accelerate discovery workflows.

Core Features & Use Cases

  • Integrated access to ChEMBL for target and bioactivity data
  • Drug-likeness calculations (Ro5, Veber, QED, TPSA) with actionable summaries
  • OpenFDA-based drug interaction and safety insights, plus OpenTargets associations

Quick Start

Provide a compound name to retrieve bioactivity data, drug-likeness metrics, and safety profiles using public sources.

Frequently Asked Questions about drug-discovery

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I calculate drug-likeness metrics like Ro5 and Veber for a compound?▼

Analyze ADMET profiles and safety insights by querying OpenFDA for drug interaction data and OpenTargets for disease associations. This assesses safety profiles to accelerate discovery workflows and interpret ADMET profiles for lead optimization.

Can I retrieve bioactivity data from ChEMBL and PubChem for lead discovery?▼

Retrieve bioactivity data from ChEMBL and PubChem by integrating these public data sources to analyze compounds. This provides integrated access to target and bioactivity data, automating medicinal chemistry research for lead discovery workflows.

Do I need curl and Python to automate medicinal chemistry research workflows?▼

You need curl and Python to automate medicinal chemistry research workflows. The skill requires curl and Python to integrate public data sources, compute drug-likeness metrics, and interpret ADMET profiles across ChEMBL, PubChem, OpenFDA, and OpenTargets.

What is the best way to consolidate fragmented public bioactivity data for compound analysis?▼

Consolidate fragmented public bioactivity data by integrating ChEMBL, PubChem, OpenFDA, and OpenTargets to analyze compounds. This solves the problem of manual calculations and fragmented data sources by computing drug-likeness metrics and safety profiles.

How do I get OpenFDA drug interaction and safety insights for lead optimization?▼

Get OpenFDA drug interaction and safety insights by querying OpenFDA for drug interaction data and OpenTargets for disease associations. This provides safety profiles and interprets ADMET profiles to accelerate discovery workflows for lead optimization.

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