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chem-hazard-toxicity

Extract GHS classifications and toxicity entries from PubChem PUG VIEW by compound CID.

144|21|Updated Jan 8, 2026
Search Tags:#drug discovery#pubchem#cid lookup#ghs#safety data#toxicity profiling
One-click install
npx skills add https://github.com/learningmatter-mit/AtomisticSkills --skill chem-hazard-toxicity
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: chem-hazard-toxicity
Source: https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-hazard-toxicity
Command: npx skills add https://github.com/learningmatter-mit/AtomisticSkills --skill chem-hazard-toxicity

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes scripts (resource) components.

What problem does it solve?

Extracting chemical hazard and toxicity information from vendor- and literature-backed sources is time-consuming and difficult to standardize for decision-making.

Core Features & Use Cases

  • GHS extraction by CID: Retrieves explicit GHS classifications and hazard statement text from PubChem PUG VIEW for a specified compound.
  • Hazard class capture: Pulls “Hazard Classes and Categories” strings (including category labels and percentages where available).
  • Toxicity profile logging: Collects toxicity-related textual entries such as LD50/LC50-style experimental summaries under the Toxicity section.
  • Use case: For drug-discovery triage, take a list of candidate molecules by PubChem CID and automatically assemble consistent safety and toxicity notes for each one.

Quick Start

Run the skill script to fetch safety and toxicity records for a compound CID from PubChem and save them as a JSON file in your chosen output directory.

Frequently Asked Questions about chem-hazard-toxicity

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

FAQPage Schema
How do I extract GHS classifications and toxicity data from PubChem for a specific compound?▼

You retrieve GHS classifications and toxicity profiles from PubChem by querying PUG VIEW with a compound CID, which resolves Safety and Hazards and Toxicity sections into structured JSON outputs.

What is the best way to automate safety data sheet generation for drug discovery candidate molecules?▼

Automating safety data extraction for drug-discovery triage involves passing a list of PubChem CIDs to batch extract hazard classes, GHS classifications, and toxicity notes into standardized JSON files.

Can I batch process multiple PubChem CIDs to collect LD50 and LC50 toxicity summaries?▼

Batch processing PubChem CIDs to collect LD50 and LC50 toxicity summaries is supported by iterating through a candidate molecule list and logging experimental toxicity entries for each compound into JSON.

Does PubChem PUG VIEW return hazard classes and category labels as structured data?▼

PubChem PUG VIEW returns hazard classes and category labels as text strings within its JSON response, which this skill resolves and structures to capture category labels and percentages for compliance workflows.

What PubChem CID do I need to retrieve GHS hazard statements and toxicology notes?▼

You need the numeric PubChem Compound Identifier (CID) of your target molecule to retrieve specific GHS hazard statements and toxicology notes from the PUG VIEW API and structure them as JSON.

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