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drug-discovery

Query ChEMBL and PubChem to analyze drug candidates and safety profiles.

2|1|Updated May 10, 2026
Search Tags:#bioinformatics#bioactivity#chemistry#drug-likeness#ADMET#pharmacology#compound screening
One-click install
npx skills add https://github.com/zli5460/hermes-agent-X-Phoenix-Architecture --skill drug-discovery-zli5460
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/zli5460/hermes-agent-X-Phoenix-Architecture/tree/main/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/zli5460/hermes-agent-X-Phoenix-Architecture --skill drug-discovery-zli5460

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires urllib3, json, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill addresses the need for efficient drug discovery workflows by enabling comprehensive compound searches, property calculations, and safety assessments.

Core Features & Use Cases

  • Bioactive Compound Search: Find compounds targeting specific proteins using ChEMBL database queries.
  • Molecular Property Analysis: Calculate drug-likeness, ADMET profiles, and interpret pharmacokinetic data for molecules.
  • Safety and Interaction Checks: Look up drug-drug interactions and adverse event reports for candidate compounds.
  • Use Case: A medicinal chemist researching a new target can quickly find bioactive compounds, analyze their pharmacokinetics, and evaluate potential safety risks to advance lead optimization.

Quick Start

Search for a molecule’s properties or evaluate its drug-likeness using queries to ChEMBL and PubChem, then review potential drug interactions through OpenFDA.

Frequently Asked Questions about drug-discovery

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

FAQPage Schema
How do I search for bioactive compounds targeting a specific protein using ChEMBL?▼

Calculate drug-likeness and ADMET profiles by querying PubChem with a molecule identifier. This provides pharmacokinetic data and interprets absorption, distribution, metabolism, and excretion properties.

How do I check drug-drug interactions and adverse events for a candidate compound?▼

Check drug-drug interactions and adverse events by querying the OpenFDA database with a compound name. This retrieves safety profiling reports and identifies potential risks for candidate compounds.

Can I use this tool for lead optimization in medicinal chemistry workflows?▼

Yes, you can use this for lead optimization in medicinal chemistry. It supports compound identification, property prediction, and safety assessments to advance lead development workflows.

What public APIs are used for compound identification and safety profiling?▼

The tool uses ChEMBL, PubChem, and OpenFDA public APIs for compound identification, property calculation, and safety profiling. These APIs provide bioactivity data, pharmacokinetics, and adverse event reports.

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