Pharmacy Safe Moderate Evidence

PubChem search compounds by similarity

by Harvard MIMS Lab (ToolUniverse)

Description

Search by similarity (Tanimoto coefficient), returns CID list of compounds with similarity above threshold to given SMILES molecule. Returns up to max_results CIDs (default 10).

Quick Install

Run in Manus

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Installation

pip install tooluniverse

Status

Published

Reviewer

Automated import

Date Added

2026-03-30

PubChem search compounds by similarity

Description

Quick Install

Installation

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