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.

1. 1
   Molecule Data▲121

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   2024 · its alternatives →

2. 2
   Harmonic Discovery▲63

   Machine learning for precision drug discovery

   May 2026 · harmonicdiscovery.com · its alternatives →

3. 3
   Minicule▲121

   Use AI to visualize biomedical knowledge

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4. 4
   AlphaFold 3▲161

   Predicting the structure & interactions of life’s molecules

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5. 5
   Tune by Google▲196

   AI-powered Chrome extension that hides toxic comments

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6. 6
   TxGemma▲134

   AI models for faster drug development

   2025 · its alternatives →

7. 7
   Reactwise▲99

   AI co-pilot for novel drug manufacturing

   2024 · its alternatives →

8. 8PA
   PyGeno, a Python Package for Precision Medicine▲64

   2016 · github.com · its alternatives →

9. 9
   ModerateHatespeech▲85

   Free toxicity detection for content moderation via AI

   2022 · its alternatives →

10. 10
    Chroma AI▲98

    Generate beautiful gradients based on your mood using AI

    2023 · its alternatives →

11. 11
    Moleculer▲92

    Fast & modern microservices framework for Node.js.

    2018 · its alternatives →

12. 12GI
    Grams.io – calculate how long drug(s) stay in body▲50

    2022 · grams.io · its alternatives →

13. 13
    ChemistryCheck▲19

    Because words aren’t always honest

    2025 · its alternatives →

14. 14
    RxNify▲2

    Algorithmic Organic Chemistry Reaction Prediction

    21d ago · rxnify.vercel.app · its alternatives →

15. 15AA
    An AI that builds open source clinical drug information databases▲12

    2022 · github.com · its alternatives →

16. 16
    sentimeter.ai▲74

    Open online sentiment tracker on the subjects that matter

    2020 · its alternatives →

17. 17IW
    I wrote a GPU-less billion-vector DB for molecule search (live demo)▲9

    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 →

18. 18
    OptimaQ▲7

    Predict addiction risk.- Help patients recover.

    2025 · its alternatives →

19. 19MC
    Molecule Calculator for Chemistry Students▲14

    2015 · molcalc.org · its alternatives →

20. 20
    Molward▲3

    SaaS for instant drug degradation & toxicology prediction.

    Jun 2026 · molward.com · its alternatives →

21. 21IS
    Improving Synthetic Data Distributions with Conditional Sampling▲17

    2022 · tonic.ai · its alternatives →

22. 22
    Labelynx - Ingredient Analyzer▲9

    AI-Powered Ingredient Safety Analyzer

    Oct 2025 · labelynx.xyz · its alternatives →

23. 23AT
    Ask the Caterpillar – A harm reduction chatbot/API for substance info▲17

    2017 · askthecaterpillar.com · its alternatives →

24. 24
    DrugSuccess.Ai▲2

    Predict drug success before clinical investment

    16d ago · thinkbio.ai · its alternatives →

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 →