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.