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 2021 64-Bit Windows

Getting GAMESS

Guide for Getting GAMESS and Installation

Join Beta Testing

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News

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
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

© 2021 xenoBiotic Inc.