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drug-discovery

Aggregate pharmacology data from public APIs for drug discovery.

Updated Apr 26, 2026
Search Tags:#bioactivity#drug-discovery#drug-likeness#pharmacology#open-data
One-click install
npx skills add https://github.com/dawsonblock/HERMY --skill drug-discovery-dawsonblock
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/dawsonblock/HERMY/tree/main/hermes-agent-2026.4.23/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/dawsonblock/HERMY --skill drug-discovery-dawsonblock

SYSTEM DOCUMENTATION & REQUIREMENTS

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

What problem does it solve?

Pharmaceutical researchers often need to quickly assemble and compare pharmacology data from multiple public sources to inform target selection, lead optimization, and safety assessment.

Core Features & Use Cases

  • Bioactive search: query ChEMBL for targets and retrieve top bioactivities.
  • Property & drug-likeness: fetch molecular properties from PubChem and compute Ro5/Veber-like metrics.
  • Safety & interactions: look up OpenFDA drug interactions and OpenTargets disease associations to contextualize risk.
  • Use Case: Given a target like EGFR, generate a short list of candidate compounds with pChEMBL > 6, along with MW, logP, TPSA, HBD/HBA, and notable interactions.

Quick Start

Ask the assistant to look up a target like EGFR and return a concise list of bioactive compounds with high pChEMBL, plus key physicochemical properties.

Frequently Asked Questions about drug-discovery

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

FAQPage Schema
How do I aggregate pharmacology data for drug discovery from public sources?▼

To aggregate pharmacology data for drug discovery, you can query public APIs like ChEMBL, PubChem, OpenFDA, and OpenTargets to retrieve structured bioactivities, physicochemical properties, and safety interactions for downstream analysis.

Does this drug discovery approach compute drug-likeness metrics from PubChem?▼

Yes, this approach fetches molecular properties from PubChem to compute drug-likeness metrics. It evaluates Rule of 5 (Ro5) and Veber-like parameters to help you assess the viability of candidate compounds during lead optimization.

Can I look up drug interactions and disease associations for safety assessment?▼

Yes, you can look up drug interactions and disease associations to contextualize safety risks. It retrieves adverse event data from OpenFDA and disease associations from OpenTargets to support comprehensive safety assessment.

What is the best way to retrieve bioactivities for target discovery?▼

The best way to retrieve bioactivities for target discovery is to specify a biological target. The system queries ChEMBL to fetch top bioactive compounds and returns structured results suitable for downstream pharmacology analysis.

Do I need API keys to query OpenFDA and OpenTargets for pharmacology data?▼

No, you do not need API keys to query these public sources. The system relies on open data from ChEMBL, PubChem, OpenFDA, and OpenTargets to retrieve pharmacology properties and interactions without explicit key authentication.

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