A General Method for Exploiting QSAR Models in Lead Optimization
Author:
Affiliation:
1. Computer-Aided Drug Design, Eli Lilly and Company Limited, Windlesham, Surrey GU20 6PH, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm049228d
Reference34 articles.
1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
2. Drug design by machine learning: the use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase.
3. New Approach to Pharmacophore Mapping and QSAR Analysis Using Inductive Logic Programming. Application to Thermolysin Inhibitors and Glycogen Phosphorylase b Inhibitors
4. Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processes
5. Evaluation of Quantitative Structure−Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor
Cited by 65 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. A bioactivity foundation model using pairwise meta-learning;Nature Machine Intelligence;2024-08-14
2. Anti-inflammatory Activity of Pyrazole Analogues Deduced from Bioactive Piperine: Synthesis, In silico, and In vitro Evaluation;Current Enzyme Inhibition;2023-08-08
3. Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications;Journal of Medicinal Chemistry;2023-04-04
4. FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction;Briefings in Bioinformatics;2022-09-17
5. Scalable (Enantioselective) Syntheses of Novel 3-Methylated Analogs of Pazinaclone, (S)-PD172938 and Related Biologically Relevant Isoindolinones;Molecules;2022-09-01
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