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drug-discovery

Search bioactive compounds in ChEMBL and calculate drug-likeness properties.

1|Updated Feb 17, 2026
Search Tags:#drug discovery#drug-likeness#ADMET#pharmaceutical research#bioactive compounds
One-click install
npx skills add https://github.com/brittaniebuffiecsu/zerogravityclaw --skill drug-discovery-brittaniebuffiecsu
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/brittaniebuffiecsu/zerogravityclaw/tree/main/src/hermes-core/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/brittaniebuffiecsu/zerogravityclaw --skill drug-discovery-brittaniebuffiecsu

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires curl, python3, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill streamlines pharmaceutical research by providing a comprehensive suite of tools for drug discovery workflows, including bioactive compound search, drug-likeness calculation, and drug interaction lookup.

Core Features & Use Cases

  • Bioactive Compound Search: Search for compounds in ChEMBL and retrieve detailed information.
  • Drug-Likeness Calculation: Assess molecule properties against Lipinski Ro5 and Veber rules.
  • Drug Interaction & Safety Lookup: Check for drug interactions and adverse events via OpenFDA.
  • Use Case: A medicinal chemist can use this Skill to quickly identify potential bioactive compounds for drug development, evaluate their properties, and check for drug interactions.

Quick Start

Use the drug-discovery skill to search for bioactive compounds in ChEMBL by target name, e.g., 'EGFR'.

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 using Lipinski Ro5 and Veber rules?▼

Drug interaction lookup queries OpenFDA APIs to check for adverse events and drug safety profiles. This pharmaceutical research assistant retrieves interaction data to help identify potential risks during drug development workflows.

How do I search for bioactive compounds in ChEMBL by target name?▼

Bioactive compound search queries ChEMBL APIs to retrieve detailed compound information by target name like EGFR. This pharmaceutical research assistant streamlines identifying potential bioactive compounds for drug development workflows.

Do I need RDKit and python3 to interpret ADMET profiles?▼

ADMET profile interpretation requires curl and python3 as dependencies, with RDKit being optional for additional functionalities. This pharmaceutical research assistant uses these tools to evaluate absorption, distribution, metabolism, and excretion properties.

Can I check drug interactions and adverse events via OpenFDA?▼

Drug interaction lookup queries OpenFDA APIs to check for adverse events and drug safety profiles. This pharmaceutical research assistant retrieves interaction data to help identify potential risks during drug development workflows.

What is the best way to retrieve compound data from PubChem for pharmaceutical research?▼

Pharmaceutical research workflows retrieve compound data from PubChem APIs alongside ChEMBL, OpenFDA, and OpenTargets. This pharmaceutical research assistant integrates multiple data sources to provide comprehensive bioactive compound search and safety lookup.

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