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drug-discovery

Search ChEMBL, PubChem, and OpenFDA for bioactive compounds and drug interactions.

Updated May 11, 2026
Search Tags:#drug discovery#cheminformatics#pharmaceutical research#bioactive compounds#ADMET analysis
One-click install
npx skills add https://github.com/richardnguyen0715/keep-it-real --skill drug-discovery-richardnguyen0715
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/richardnguyen0715/keep-it-real/tree/main/refer-projects/hermes-agent/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/richardnguyen0715/keep-it-real --skill drug-discovery-richardnguyen0715

SYSTEM DOCUMENTATION & REQUIREMENTS

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

What problem does it solve?

This Skill streamlines drug discovery workflows by providing a suite of tools for compound searching, drug-likeness assessments, and safety evaluations.

Core Features & Use Cases

  • Bioactive Compound Search: Search ChEMBL for compounds by target, activity, or molecule name.
  • Drug-Likeness Calculation: Assess any molecule against established oral bioavailability rules.
  • Drug Interaction & Safety Lookup: Look up drug-drug interactions via OpenFDA and interpret ADMET profiles.
  • Use Case: A medicinal chemist can use this Skill to quickly find bioactive compounds for a specific target, calculate their drug-likeness, and check for potential drug interactions.

Quick Start

Use the drug-discovery skill to search for bioactive compounds against the EGFR target.

Frequently Asked Questions about drug-discovery

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

FAQPage Schema
How do I search ChEMBL for bioactive compounds against a specific target?▼

Yes, you can calculate drug-likeness by assessing any molecule against established oral bioavailability rules to evaluate its pharmacokinetic profile and suitability for pharmaceutical development.

How do I check drug-drug interactions via OpenFDA?▼

To check drug-drug interactions, query the OpenFDA database through this research assistant to look up drug interaction data and interpret ADMET safety profiles for your target compounds.

Do I need Python to run ADMET analysis and bioactive compound searches?▼

Yes, you need Python3 and common command-line tools like curl installed, as this pharmaceutical research assistant relies on these dependencies to query external databases and execute cheminformatics workflows.

What's the best way to evaluate pharmaceutical research compounds for oral bioavailability?▼

The best way to evaluate compounds is to calculate drug-likeness by checking molecules against established oral bioavailability rules, combining this with PubChem searches and ADMET safety evaluations.

Can I search PubChem for drug-likeness and safety evaluations in one workflow?▼

Yes, you can streamline drug discovery workflows by combining PubChem compound searches, drug-likeness calculations against oral bioavailability rules, and OpenFDA safety lookups within a single session.

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