xenoBiotic

Enables you to predict Ames mutagenic potencies
in virtual compounds.

Calculates and outputs the probabilities of
Ames Positivity/Negativity.

Works offline on Windows.

Usage

Step 1:

Preparation of the file of compound

e.g. Using ChemDraw, Marvin, BIOVIA,
Schrödinger, MOE, etc.

Step 2:

Drag&Drop the file onto the
desktop icon "xenoBiotic"

Step 3:

You get the files of results
without your operation

Features

Accuracy prediction
The overall accuracy prediction with 724 pesticides was evaluated at 95% (version 0.9q, Feb. 2021).
That is the best result recorded so far compared with the test results from other 9 software packages.
Viable compounds
Organic compounds
Applicability domain
ENJP
Unviable 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 -1

OS
Windows 10 Pro, 64-bit
CPU
over Intel Pentium D 3.4 GHz
RAM
over 4 GB
Software
- 12 software packages
At least 3.2 GB of free disk space is required.
Details are available to the beta testers.

Requirement -2

Software

- GAMESS 64-Bit Windows

Getting GAMESS

Guide for Getting GAMESS and Installation

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    News

    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
    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, 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

    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

    © 2022 xenoBiotic Inc.