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AI · alternatives · 2026

24 alternatives to SMILES Toxicity Predictor (Using RNN ML)

Toxicity Drug (Molecule) Predictor Using SMILES String

Below are 24 products that do a similar job, ranked by how close each is in meaning and then by launch-day votes.

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  23. 23CI
  24. 24

    Input a SMILES string (or pick one molecule from the examples) and it returns up to 100k molecules closest in 3-D shape or electrostatic similarity – from 10+ billion scale databases — typically in under 5-10 s. *Why it might interest HN* * Entire index lives on disk — no GPU at query-time, less than ~10 GB RAM total. * Built from scratch (no FAISS index / Milvus / Pinecone). * Index-build cost: one Nvidia T4 (~ 300USD) for one 5.5B database. * Open to anyone, predict ADMET, export results as CSV/SDF. Full write-up & benchmarks (DUD-E, LIT-PCBA, SVS) in the pre-print:…

    2025 · cheese-new.deepmedchem.com · its alternatives →

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Ranked by how close each launch is in meaning, then by votes. Prices were read from each product’s own site when checked and can change. Refine with your own description →