Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints
Author:
Affiliation:
1. Boehringer Ingelheim (Canada) Ltd. Research & Development, 2100 Cunard Street, Laval, Quebec, Canada H7S 2G5
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci8000887
Reference30 articles.
1. Duda, R. O., Hart, P. E., and Stork, D. G.Unsupervised Learning and Clustering. In Pattern Classification, 2nd ed.Duda, R. O., Hart, P. E., and Stork, D. G., Eds.John Wiley & Sons, Inc.:New York, NY, 2001; pp517−599.
2. Status of HTS Data Mining Approaches
3. Hit and lead generation: beyond high-throughput screening
4. A Cluster-Based Strategy for Assessing the Overlap between Large Chemical Libraries and Its Application to a Recent Acquisition
5. Applications of Self-Organizing Neural Networks in Virtual Screening and Diversity Selection
Cited by 25 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Molecular Diversity Assessment using Chemotypes;Current Computer-Aided Drug Design;2022-02
2. Graph-Based Methods for Rational Drug Design;Lecture Notes in Computer Science;2022
3. Antiproliferative potential, quantitative structure-activity relationship, cheminformatic and molecular docking analysis of quinoline and benzofuran derivatives;European Journal of Chemistry;2020-09-30
4. Automatic generation of Markush structures from specific compounds;World Patent Information;2019-06
5. Analysis of Chemical Spaces: Implications for Drug Repurposing;In Silico Drug Design;2019
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