Screen any molecule or small library for ADMET liabilities and drug-likeness in seconds — instant in-browser descriptors plus 13 trained ML endpoints, with honest scaffold-split metrics, applicability-domain flags, and structural alerts. Free, open, CPU-only.
Who it's for: medicinal chemists prioritizing analogs, chemical biologists sanity-checking probe compounds, and academic / small-biotech drug-discovery labs that need rigorous triage on a laptop — no GPU, no per-seat license.
SMILES — one per line to screen a small libraryloading RDKit…
aspirincaffeineibuprofenastemizoleparacetamol+ load all 5 as a library
Instant preview · in-browser RDKit
Full ML ADMET report
Server not active. The instant in-browser preview above still works for descriptors and drug-likeness.
For the full 13-endpoint ML panel you can view an
example report →,
read the source & docs,
or run the CLI locally: python screenserver.py screen library.csv.
Paste a vendor catalog or hit list, rank by developability score, and drop compounds with hERG / Ames / DILI flags or PAINS substructures before ordering.
Analog prioritization
Get instant descriptors and Ro5 / QED for a proposed analog, then run the full panel to compare solubility, permeability, CYP and clearance across the series.
Probe-compound check
Confirm a chemical-biology tool compound isn't a frequent hitter and has tolerable cytochrome and cardiotoxicity risk before cellular assays.
Instant preview runs RDKit-WASM entirely in your browser — molecule render, descriptors, and Lipinski / Veber / Ghose / QED drug-likeness, with no data leaving the page.
Full ML ADMET runs the real 13 trained endpoints on the backend with PAINS / Brenk / NIH structural alerts, applicability-domain checks, prediction confidence, and a composite developability score. Honest random- and scaffold-split held-out metrics are shown at the top of every report.
Open-source & CPU-only · data: MoleculeNet/DeepChem & Therapeutics Data Commons ·
github.com/gianyrox/screenserver ·
example report → Research-grade ML triage tool. Predictions are computational estimates for prioritization, not clinical or regulatory determinations.