Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions
Author:
Affiliation:
1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany
Funder
J?rgen Manchot Stiftung
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b02087
Reference22 articles.
1. Advances in multiparameter optimization methods forde novodrug design
2. Lead optimization attrition analysis (LOAA): a novel and general methodology for medicinal chemistry
3. Quantifying, Visualizing, and Monitoring Lead Optimization
4. Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization
5. SAR Monitoring of Evolving Compound Data Sets Using Activity Landscapes
Cited by 7 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. Automatic Identification of Analogue Series from Large Compound Data Sets: Methods and Applications;Molecules;2021-08-31
2. DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology;Journal of Computer-Aided Molecular Design;2020-10-05
3. From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method;Molecular Informatics;2020-04-24
4. Compound optimization monitor (COMO) method for computational evaluation of progress in medicinal chemistry projects;Future Drug Discovery;2019-10-01
5. Finding Constellations in Chemical Space Through Core Analysis;Frontiers in Chemistry;2019-07-16
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