ChemistryCPU0 credits

Drug Discovery Lab

Explore 40 famous drugs with live SMILES editing, ADMET, and repurposing

An end-to-end drug discovery playground. Browse 40 curated drugs from Aspirin to Ozempic — statins, kinase inhibitors, GLP-1 agonists, antibiotics, antivirals, SSRIs, plus historical and research drugs. Edit SMILES and watch molecular weight, LogP, Lipinski, and QED update instantly. Run heuristic toxicity panels. Browse drugs by disease. Find repurposing opportunities. Plus existing compound-vs-target evaluation and lead optimization workflows.

Free

per API call

credits per call

POST /v1/drug-discovery-lab/calculate/molecular-properties

API endpoint

Features

40 famous drugs across 10+ therapeutic classes

Live SMILES editor with instant MW / LogP / Lipinski / QED recalc

6-panel property dashboard with drug-likeness verdict

Toxicity report card: hERG / AMES / DILI / skin sensitization / carcinogenicity

Disease browser: 20 diseases cross-linked to drugs

Drug repurposing explorer (Sildenafil, Minoxidil, Thalidomide case studies)

Existing compound-vs-target pipeline at /evaluate/

Existing lead optimization studio at /optimize/

Save custom molecules to your account

PubMed literature auto-linked for every drug

Quick Start

SciRouter Drug Discovery Engine + RDKit — Python Examplepython

import requests

# Calculate properties for aspirin
r = requests.post(
    "https://scirouter.ai/v1/drug-discovery-lab/calculate/molecular-properties",
    json={"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O"}
)
p = r.json()["data"]
print(f"MW: {p['molecular_weight']:.1f}")
print(f"LogP: {p['logp']:.2f}")
print(f"Lipinski violations: {p['lipinski_violations']}")
print(f"Drug-likeness: {p['drug_likeness']}")

# Browse drugs by disease
r = requests.get("https://scirouter.ai/v1/drug-discovery-lab/diseases/diabetes-type-2")
for d in r.json()["data"]["drugs"]:
    print(f"- {d['name']} ({d['drug_class']})")