New structural alerts for Ames mutagenicity discovered using emerging pattern mining techniques

Author:

Coquin Laurence123,Canipa Steven J.123,Drewe William C.123,Fisk Lilia123,Gillet Valerie J.4563,Patel Mukesh123,Plante Jeffrey123,Sherhod Richard J.12345,Vessey Jonathan D.123

Affiliation:

1. Lhasa Limited

2. Leeds

3. UK

4. Information School

5. University of Sheffield

6. Sheffield S1 4DP

Abstract

The discovered patterns are used to develop new structural alerts for mutagenicity in the Derek Nexus expert system.

Funder

Technology Strategy Board

Publisher

Oxford University Press (OUP)

Subject

Health, Toxicology and Mutagenesis,Toxicology

Reference63 articles.

1. J. C. Dearden , in In Silico Toxicology, ed. M. Cronin and J. Madden, Royal Society of Chemistry, Cambridge, UK, 2010, pp. 478–507

2. P. Judson , Knowledge-based Expert Systems in Chemistry: Not Counting on Computers, Royal Society of Chemistry, Cambridge, UK, 2009

3. An evaluation of the implementation of the Cramer classification scheme in the Toxtree software

4. Classification of Compounds with Distinct or Overlapping Multi-Target Activities and Diverse Molecular Mechanisms Using Emerging Chemical Patterns

5. Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3