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Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases.

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第一作者： Ahmet Sureyya,Rifaioglu

第一单位： Department of Computer Engineering, Middle East Technical University, Ankara, Turkey.;Department of Computer Engineering, İskenderun Technical University, Hatay, Turkey.

作者： Ahmet Sureyya,Rifaioglu ^[1] ; Heval,Atas ^[2] ; Maria Jesus,Martin ^[3] ; Rengul,Cetin-Atalay ^[4] ; Volkan,Atalay ^[4] ; Tunca,Doğan ^[5]

作者单位： Department of Computer Engineering, Middle East Technical University, Ankara, Turkey.;Department of Computer Engineering, İskenderun Technical University, Hatay, Turkey. ^[1] Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey. ^[2] European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, Hinxton, UK. ^[3] Department of Computer Engineering, Middle East Technical University, Ankara, Turkey. ^[4] Cancer System Biology Laboratory (CanSyL), Graduate School of Informatics, Middle East Technical University, Ankara, Turkey and European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, Hinxton, UK. ^[5]

关键词 compound and bioactivity databases deep learning drug-target interactions gold-standard data sets ligand-based VS and proteochemometric modelling machine learning virtual screening

医学主题词计算机模拟(Computer Simulation);数据库管理系统(Database Management Systems);药物发现(Drug Discovery)

DOI 10.1093/bib/bby061

PMID 30084866

发布时间 2023-10-20

基金项目

U24 HG007822/HG/NHGRI NIH HHS/United States

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