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drug-discovery

Searches compounds, assesses drug-likeness, and looks up interactions via public APIs.

Updated Aug 23, 2026
Search Tags:#drug discovery#cheminformatics#pharmacology#pharmaceutical research#bioactive compounds
One-click install
npx skills add https://github.com/THTProtocol/lastochka --skill drug-discovery-thtprotocol
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/THTProtocol/lastochka/tree/main/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/THTProtocol/lastochka --skill drug-discovery-thtprotocol

SYSTEM DOCUMENTATION & REQUIREMENTS

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

What problem does it solve?

This Skill addresses the complex and time-consuming tasks associated with drug discovery, offering a comprehensive suite of tools to assist with various aspects of the process.

Core Features & Use Cases

  • Bioactive Compound Search: Search ChEMBL for compounds by target, activity, or molecule name without requiring an API key.
  • Drug-Likeness Calculation: Assess molecules against established oral bioavailability rules using PubChem's free property API.
  • Drug Interaction & Safety Lookup: Lookup drug interactions and adverse events using OpenFDA.
  • Target & Disease Literature: Retrieve literature on target and associated diseases from OpenTargets.
  • Use Case: Imagine you are a medicinal chemist working on a new drug compound. This Skill can help you search for similar compounds, analyze their properties, and look up interactions with other drugs.

Quick Start

Run the command 'lastochka drug-discovery search-compound "EGFR"' to search for compounds targeting the EGFR protein in ChEMBL.

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 like EGFR?▼

To search bioactive compounds targeting EGFR, query the ChEMBL database by target, activity, or molecule name. This drug discovery workflow retrieves matching compounds and their activity data without requiring an API key.

Can I assess drug-likeness and oral bioavailability using PubChem properties?▼

Yes, you can assess drug-likeness by evaluating molecules against established oral bioavailability rules. This workflow queries PubChem's free property API to retrieve and calculate the necessary physicochemical parameters for the assessment.

How do I look up drug interactions and adverse events for pharmaceutical research?▼

You can look up drug interactions and adverse events by querying the OpenFDA API. This drug discovery tool retrieves safety profiles and reported interaction data to inform pharmaceutical research workflows.

Do I need an API key to search ChEMBL for compounds by target or activity?▼

No, you do not need an API key to search ChEMBL for compounds by target or activity. The drug discovery workflow directly queries the public ChEMBL API to retrieve bioactive compound data without authentication.

How do I retrieve literature on a drug target and its associated diseases?▼

Retrieve target and disease literature by querying the OpenTargets API. This drug discovery feature fetches relevant publications and literature evidence linking specific biological targets to their associated disease mechanisms.

What dependencies are required to run drug discovery workflows with these research tools?▼

Running these drug discovery research tools requires Python 3 and curl installed in your environment. These dependencies facilitate API queries to ChEMBL, PubChem, OpenFDA, and OpenTargets for compound searching and safety lookup.

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