boltz-small-molecule-adme

Predicts solubility, permeability and lipophilicity for small molecules from SMILES strings alone.

Ecosystem: Codex
Skill category: Research
Creator / organization: Boltz

What it is

boltz-small-molecule-adme is also part of the Boltz API plugin for Codex and predicts ADME properties, which describe how a drug is absorbed, distributed, metabolized and excreted. Give it the SMILES strings for one molecule or a batch, with no protein target required, and it returns three estimates: aqueous solubility, membrane permeability and lipophilicity (logD). Input can be pasted directly or supplied as CSV, .smi or .txt files, up to 128 molecules per request, with larger sets split into batches. The cost is estimated before submission. The project notes that the values are approximate estimates for triage and ranking, not measurements. To screen molecules against a protein target, the separate boltz-small-molecule-screen Skill applies.

Who it's for:medicinal chemists and researchers triaging lead compounds. If you don't work in this area, it won't be useful to you.

Before you start: you need the boltz-api command-line tool and a Boltz account. It is billed by usage; see Boltz for current pricing. Check the repository for license terms.

Based on the project's public documentation. Not tested by AI Inspiration World.