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drug-discovery

Search bioactive compounds and calculate drug-likeness via ChEMBL and PubChem APIs.

1|Updated May 21, 2026
Search Tags:#bioinformatics#drug discovery#chemical database#pharmacology#ADMET analysis
One-click install
npx skills add https://github.com/blueskies1818/hermesALIone --skill drug-discovery-blueskies1818
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/blueskies1818/hermesALIone/tree/main/Agent/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/blueskies1818/hermesALIone --skill drug-discovery-blueskies1818

SYSTEM DOCUMENTATION & REQUIREMENTS

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

What problem does it solve?

This Skill serves as an expert drug discovery and pharmacology assistant, addressing medicinal chemistry questions, molecule property analysis, clinical pharmacology, and open-science drug research.

Core Features & Use Cases

  • Pharmacological Data Retrieval: Access and search chemical compound databases, analyze bioactive compounds, and retrieve ADMET profiles.
  • Drug Interaction & Safety Lookup: Search for drug interactions and adverse events through public APIs.
  • Use Case: Utilize the skill to search for bioactive compounds on ChEMBL, calculate drug-likeness using Lipinski's Ro5 rules, or lookup drug-drug interactions to ensure safety in new drug developments.

Quick Start

To initiate a search for bioactive compounds targeting a specific target name, use the command: search "target name".

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?▼

You can calculate drug-likeness by applying Lipinski's Rule of Five to evaluate molecular properties. This pharmacology assistant analyzes chemical compounds retrieved from PubChem or ChEMBL to determine if they meet the criteria for successful oral drugs.

Can I lookup drug-drug interactions and adverse events with public APIs?▼

Yes, you can lookup drug interactions and adverse events using the OpenFDA API. This allows you to search for clinical pharmacology safety data and ensure drug safety during pharmaceutical research and lead optimization.

Do I need Python or curl to run ADMET profile interpretation and bioactive compound searches?▼

Yes, you need Python3 and curl installed, along with network access. These dependencies are required to run the scripts that retrieve real-time pharmaceutical data from external APIs like OpenTargets, ChEMBL, and PubChem.

What is the best way to interpret ADMET profiles for lead optimization?▼

The best way to interpret ADMET profiles is by retrieving absorption, distribution, metabolism, excretion, and toxicity data directly from public APIs. This provides the necessary pharmacological insights to guide lead optimization and evaluate drug safety.

Does this drug discovery workflow support OpenTargets and PubChem for pharmacological data retrieval?▼

Yes, the workflow supports OpenTargets and PubChem for pharmacological data retrieval. It utilizes these external APIs alongside ChEMBL and OpenFDA to deliver comprehensive pharmaceutical research and analyze bioactive compounds.

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