xenoBiotic

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Predicts Ames Mutagenic Potencies in
Virtual Compounds.

Calculates and Outputs the Probabilities of
Ames Positivity/Negativity.

Works On-Premises, Including Private Cloud.

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Usage

Step 1

Prepare the file of compound in one of the following formats: cdx, smi, mol, mol2, or sdf
e.g. Using ChemDraw, Marvin, BIOVIA, Schrodinger, MOE, etc,

Step 2

Drag&Drop the file onto the canvas in "xenoBiotic"

Step 3

Get the result ZIP file

Features

Accuracy prediction
under construction
Processable compounds
Organic compounds
Applicability domain
under construction
Unprocessable compounds
Boron, Arsenic, and Selenium derivatives, Inorganics, Organometallics, Radical molecules, Metals, Complexes, Mixtures, Polymers, Simple substances
Input file format
.cdx    .smi    .smiles    .mol    .mol2    .sd    .sdf
Output file format
.xlsx    .csv    .sdf

Requirement

OS
Windows 11 Pro, 64-bit
Standard Linux distributions, 64bit
AWS Amazon Linux 2023, 64bit
CPU
Intel Corei5-12500 6Cores 12Threads (minimum spec)
RAM
16GB (8GB *2) DDR4 (minimum spec)
Storage
256GB SSD (minimum spec)
Software

The latest version of GAMESS
Getting GAMESS

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    News

    Jan 28–30, 2026
    nano tech 2026, Tokyo
    THERS exhibition booth, Chemical Toxicity Prediction Software Package xenoBiotic
    Dec 1–4, 2025
    Innovation Leaders Summit 2025, Tokyo
    NEDO exhibition booth A12, xenoBiotic Chemical Toxicity Prediction Software Package
    Nov 24, 2025
    Mutagenicity QSAR Workshop 2025
    xenoBiotic: Ames mutagenicity predictor (2025)
    Nov 22–23, 2025
    The 54th Annual Meeting of the Japanese Environmental Mutagen and Genome Society, Shizuoka
    P-25, xenoBiotic: Ames mutagenicity predictor (2025)
    Sep 9–12, 2025
    The 19th Annual Meeting of Japan Society for Molecular Scuence, Hiroshima
    1P084, xenoBiotic: Ames mutagenicity predictor (2025)
    Jan 29–31, 2025
    nano tech 2025, Tokyo
    NEDO exhibition booth Chemical 10, xenoBiotic Chemical Toxicity Prediction Software Package
    Jul 3–5, 2024
    The 51st Annual Meeting of the Japanese Society of Toxicology, Fukuoka
    P-153, Performance of Ames mutagenicity prediction software package xenoBiotic using quantum chemical calculations
    Jun 5–7, 2024
    73rd The Society of Polymer Science, Japan Annual Meeting, Sendai
    3Pd094, xenoBiotic: Chemical Toxicity Prediction Software Package
    Mar 28–31, 2024
    The 144th Annual Meeting of the Pharmaceutical Society of Japan, Yokohama
    30P-pm108, xenoBiotic: Ames mutagenicity predictor (2023)
    Dec 4, 2023
    A. Furuhama, et al., Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project, SAR and QSAR in Environmental Research, 2023, Vol34, Issue12, 983–1001.
    https://doi.org/10.1080/1062936X.2023.2284902.
    Nov 22, 2023
    37th Assembly for Pesticide Desgin Research, Osaka
    P010, xenoBiotic: Ames mutagenicity predictor (2023)
    Nov 13–15, 2023
    The 40th Medicinal Chemistry Symposium, Nagoya
    1P-13, xenoBiotic: Ames mutagenicity predictor (2023)
    Nov 7–8, 2023
    Japan Society of Colour Material Annual Conference 2023, Osaka
    P42, xenoBiotic: Ames mutagenicity predictor (2023)
    Sep 12–15, 2023
    The 17th Annual Meeting of Japan Society for Molecular Scuence, Osaka
    2P110, xenoBiotic: Ames mutagenicity predictor (2023), prediction performance to aromatic amines
    Sep 12–15, 2023
    The 17th Annual Meeting of Japan Society for Molecular Scuence, Osaka
    2E05, xenoBiotic: Ames mutagenicity predictor (2023)
    Nov 15–16, 2022
    The 51st Annual Meeting of the Japanese Environmental Mutagen and Genome Society, Hiroshima
    P-48, xenoBiotic: Ames mutagenicity predictor (2022)
    Oct 12–14, 2022
    BioJapan 2022, Yokohama
    NEDO exhibition booth No.12, xenoBiotic: Chemical Toxicity Prediction Software Package
    Sep 19–22, 2022
    The 16th Annual Meeting of Japan Society for Molecular Scuence, Yokohama
    1P074, xenoBiotic: Ames mutagenicity predictor (2022)
    Jun 11, 2022
    Open Symposium on Annual Meeting of the Japanese Environmental Mutagen and Genome Society
    Development of Ames mutagenicity predictor “xenoBiotic” using quantum chemical calculations
    Mar 25–28, 2022
    The 142nd Annual Meeting of the Pharmaceutical Society of Japan, Nagoya 27PO5-pm2-02, xenoBiotic: Ames mutagenicity predictor (2021)
    Nov 01, 2021
    The 50th Anniversary Annual Meeting of the Japanese Environmental Mutagen and Genome Society, Yokosuka
    P-53, xenoBiotic: Ames mutagenicity predictor (2021)
    Oct 13–15, 2021
    BioJapan 2021, Yokohama
    NEDO exhibition booth 32, xenoBiotic The Chemical Toxicity Prediction
    Software Package
    Sep 18, 2021
    The 15th Annual Meeting of Japan Society for Molecular Science, Sapporo
    1P061, xenoBiotic: Ames mutagenicity predictor (2021)
    Mar 11, 2021
    Gifu University issues a press release.
    “The overall accuracy of Ames mutagenicity prediction with 724 pesticides was evaluated at 95%“
    https://www.gifu-u.ac.jp/news/research/2021/03/entry11-10658.html
    Dec 09–11, 2020
    nano tech 2021, Tokyo
    NEDO exhibition booth C4, Development of the Chemical Toxicity Prediction Software
    Oct 19–Nov 18, 2020
    Chemical Material Japan 2020 -ONLINE-
    xenoBiotic—Ames mutagenicity predictor
    Jan 22, 2020
    The Gifu Regional Venture Support Network NOBUNAGA21 (The Juroku Bank, Ltd., Nomura Securities Co.,Ltd., Deloitte Touche Tohmatsu LLC),
    The 5th NOBUNAGA 21 First Stage Award Winner (T. Sawada)
    Dec 12, 2019
    The 47th Symposium of Structure-Activity Relationships, Kumamoto
    1P-06, xenoBiotic—Ames mutagenicity predictor
    Nov 20, 2019
    ACEM/JEMS 2019, Tokyo
    P-64, xenoBiotic—Ames mutagenicity predictor
    Nov 08, 2019
    The 34th Assembly fot the Pesticide Design Research, Tokyo
    P04, xenoBiotic—Ames mutagenicity predictor
    Oct 02, 2019
    The Chemical Daily (Kagaku Kogyo Nippo), page 4
    Toxicity Predictor for Chemical Scientists
    Sep 17, 2019
    The 13th Annual Meeting of Japan Society for Molecular Science, Nagoya
    1P114, xenoBiotic―Ames mutagenicity predictor
    Sep 02, 2019
    NEDO Entrepreneurs Program (NEP), (T. Sawada)
    Aug 29, 2019
    Innovation Japan 2019, Tokyo
    I-13, Chemistry×Toxicology×Machine Learning=Toxicity Predictor
    Mar 22, 2019
    The 139th Annual Meeting of the Pharmaceutical Society of Japan, Chiba
    22PO-am025, xenoBiotic—Ames mutagenicity predictor
    Mar 12, 2019
    The 44th Annual Meeting of the Pesticide Science Society of Japan, Nagoya
    C201, xenoBiotic—Ames mutagenicity predictor
    Jan 29, 2019
    The Mid-Japan Economist, page 17
    Development of an Ames mutagenicity predictor
    Jan 25, 2019
    NEDO Technology Commercialization Program (TCP) 2018, Finalist
    May 19, 2018
    Start-up Funds, Nagoya University and Tokai Regional Universities Venture Start-up Support 2018

    Contact Us

    Authors
    Toshihiko Sawada, xenoBiotic Inc.
    Email : sawada@xenobiotic.jp
    Gobaruhouse A120, 270-5 Saikachi, Higashikaiden, Gifu City, Gifu 501-1144, Japan
    Collaborators
    - Ayato Sato, Institute of Transformative Bio-Molecules, Nagoya University, Tokai National Higher Education and Research System
    - Shinzo Kagabu, Professor emeritus of Gifu University
    - Hiroaki Wasada and Tomohiro Hashimoto, Faculty of Regional Studies, Gifu University, Tokai National Higher Education and Research System
    Acknowledgements
    - The Gifu Regional Venture Support Network NOBUNAGA21 (The Juroku Bank, Ltd., Nomura Securities Co.,Ltd., Deloitte Touche Tohmatsu LLC), The 5th NOBUNAGA 21 First Stage Award Winner (T. Sawada), 2020
    - NEDO Entrepreneurs Program (NEP), (T. Sawada), 2019
    - Richard Albert
    - Michael Sevier
    - Hideki Maki, H. Maki Lab., Faculty of Regional Studies, Gifu University, Tokai National Higher Education and Research System
    - Start-up Funds, Nagoya University and Tokai Regional Universities Venture Start-up Support, 2018
    -The Ministry of Education, Culture, Sports, Science and Technology (MEXT)' s EDGE-NEXT Tokai-EDGE (Tongali) program

    © 2026 xenoBiotic Inc.