Virtual Screening with Generative Topographic Maps: How Many Maps Are Required?
Author:
Affiliation:
1. Laboratoire de Chémoinformatique UMR 7140 CNRS, Institut LeBel 4, rue B. Pascal 67081 Strasbourg, France
2. B-IT, Limes, Unit Chem. Biol. & Med. Chem., University of Bonn, 53115 Bonn, Germany
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/acs.jcim.8b00650
Reference22 articles.
1. Estimation of the size of drug-like chemical space based on GDB-17 data
2. The self-organizing map
3. Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository
4. GTM: The Generative Topographic Mapping
5. Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison
Cited by 21 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. Chemoinformatic approaches for navigating large chemical spaces;Expert Opinion on Drug Discovery;2024-02-05
2. Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR;Nature Reviews Drug Discovery;2023-12-08
3. Meta-GTM: Visualization and Analysis of the Chemical Library Space;Journal of Chemical Information and Modeling;2023-08-21
4. Chemical Library Space: Definition and DNA-Encoded Library Comparison Study Case;Journal of Chemical Information and Modeling;2023-06-27
5. French dispatch: GTM‐based analysis of the Chimiothèque Nationale Chemical Space;Molecular Informatics;2023-02-06
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