ChemistryCPU1 credits

Molecule Similarity

Tanimoto fingerprint similarity between molecules

Calculate Tanimoto similarity coefficients between molecules using Morgan (ECFP) fingerprints. Essential for SAR analysis, compound clustering, and library diversity assessment.

$0.01

per API call

credits per call

/v1/chemistry/similarity

API endpoint

Features

Tanimoto similarity coefficient

Morgan (ECFP4) fingerprints

Sub-second computation

Pairwise comparison

Value range 0.0 to 1.0

Industry-standard metric

Quick Start

RDKit — Python Examplepython

import requests

API_KEY = "sk-sci-your-key-here"
url = "https://scirouter.ai/v1/chemistry/similarity"

response = requests.post(url, json={
    "smiles1": "CC(=O)Oc1ccccc1C(=O)O",  # Aspirin
    "smiles2": "CC(=O)Nc1ccc(O)cc1"       # Acetaminophen
}, headers={"Authorization": f"Bearer {API_KEY}"})

result = response.json()
print(f"Tanimoto similarity: {result['similarity']:.3f}")