Selecting machine-learning scoring functions for structure-based virtual screening
Author:
Funder
Agence Nationale de la Recherche
Publisher
Elsevier BV
Subject
Drug Discovery,Molecular Medicine
Reference61 articles.
1. Virtual screening: an endless staircase?;Schneider;Nat Rev Drug Discov,2010
2. Structure-based virtual screening for drug discovery: a problem-centric review;Cheng;AAPS J,2012
3. Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation;Li;J Chem Inf Model,2011
4. Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification;Ballester;J R Soc Interface,2012
5. Neural-network scoring functions identify structurally novel estrogen-receptor ligands;Durrant;J Chem Inf Model,2015
Cited by 44 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. Machine-learning-based bitter taste threshold prediction model for bitter substances: fusing molecular docking binding energy with molecular descriptor features;2024-05-30
2. ClassyPose: A Machine‐Learning Classification Model for Ligand Pose Selection Applied to Virtual Screening in Drug Discovery;Advanced Intelligent Systems;2024-05-12
3. Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors;Journal of Cheminformatics;2024-04-07
4. Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors;2024-03-17
5. TECHNIQUES AND ALGORITHMS FOR STRUCTURE-BASED VIRTUAL SCREENING (SBVS): AN OVERVIEW;INDIAN DRUGS;2024-01-28
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