pharmtox-bindingdb-ligands

Validate BindingDB ligand data integrity, SMILES, and Ki values.

934|152|Updated Mar 1, 2026
One-click install
npx skills add https://github.com/wuyoscar/ISC-Bench --skill pharmtox-bindingdb-ligands
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: pharmtox-bindingdb-ligands
Source: https://github.com/wuyoscar/ISC-Bench/tree/main/templates/pharmtox_bindingdb
Command: npx skills add https://github.com/wuyoscar/ISC-Bench --skill pharmtox-bindingdb-ligands

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

This Skill provides a reusable ISC prompt template for Pharmacology & Toxicology data validation that uses BindingDB ligand data to assess data integrity, ligand identifiers, SMILES validity, and binding constants in a structured evaluation workflow.

Core Features & Use Cases

  • Template-driven frontmatter: Standardized name and description plus optional metadata to enable discovery and reuse.
  • BindingDB data validation: Includes sample verification prompts and scripts for validating ligand names, SMILES strings, and Ki values against a local cache.
  • Anchor-strength testing: Demonstrates how to craft and test weak anchors that can be strengthened for frontier model evaluation.
  • Use Case: Validate a local binding_cache.json to ensure toxicity-related data is consistently described and machine-readable.

Quick Start

Run the verify workflow against your BindingDB data cache using the provided template prompts and scripts.

Frequently Asked Questions about pharmtox-bindingdb-ligands

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

FAQPage Schema
How do I validate BindingDB ligand data and SMILES strings?

You can validate BindingDB ligand data by running a reusable ISC prompt template that checks ligand identifiers, SMILES validity, and Ki values against a local binding_cache.json to ensure machine-readable data integrity.

What is an ISC prompt template for pharmacology data validation?

An ISC prompt template for pharmacology data validation is a standardized frontmatter structure that provides reusable prompts and script references to assess ligand identifiers, SMILES strings, and binding constants in safety-focused evaluations.

How do I test anchor strength for frontier model evaluation?

You test anchor strength by crafting weak anchors within the ISC prompt template and progressively strengthening them to evaluate how frontier models handle pharmacology and toxicity data validation constraints.

Can I use this template to verify Ki values in a local binding cache?

Yes, you can use the provided template prompts and scripts to verify Ki values in a local binding_cache.json, ensuring your toxicity-related pharmacology data is consistently described and machine-readable.

Do I need additional dependencies to perform SMILES validation with this template?

No additional dependencies are required; the template operates independently with embedded sample verification prompts and scripts to validate SMILES strings and ligand names against your local data cache.