EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning

被引：0
|
作者：
Gryn'ova, Ganna
Bereau, Tristan
Muller, Carolin
Friederich, Pascal
Wade, Rebecca C.
Nunes-Alves, Ariane
Soares, Thereza A.
Merz Jr, Kenneth
机构：
[1] School of Chemistry, University of Birmingham, Birmingham,B15 2TT, United Kingdom
[2] Institute for Theoretical Physics, Heidelberg University, Heidelberg,69120, Germany
[3] Computer-Chemistry-Center, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, Erlangen,91052, Germany
[4] Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Kaiserstr. 12, Karlsruhe,76131, Germany
[5] Institute of Nanotechnology, Karlsruhe Institute of Technology, Kaiserstr. 12, Karlsruhe,76131, Germany
[6] Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloss-Wolfsbrunnenweg 35, Heidelberg,69118, Germany
[7] Center for Molecular Biology of Heidelberg University (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Im Neuenheimer Feld 329, Heidelberg,69120, Germany
[8] Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Im Neuenheimer Feld 205, Heidelberg,69120, Germany
[9] Institute of Chemistry, Technische Universität Berlin, Berlin,10623, Germany
[10] Department of Chemistry, FFCLRP, University of São Paulo, Ribeirão Preto,14040-901, Brazil
[11] Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, Oslo,0315, Norway
[12] Department of Chemistry, Michigan State University, Michigan,48824, United States
来源：
JOURNAL OF CHEMICAL INFORMATION AND MODELING | 2024年 / 64卷 / 15期
基金：
欧洲研究理事会; 巴西圣保罗研究基金会;
关键词：
D O I：
10.1021/acs.jcim.4c01300
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
引用
收藏
页码：5737 / 5738
页数：2
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