Artificial intelligence in chemistry and drug design

被引：87

作者：

Brown, Nathan ^{[1
]}

Ertl, Peter ^{[2
]}

Lewis, Richard ^{[2
]}

Luksch, Torsten ^{[3
,4
,5
]}

Reker, Daniel ^{[6
]}

Schneider, Nadine ^{[2
]}

机构：

[1] BenevolentAI, 4-8 Maple St, London W1T 5HD, England

[2] Novartis Inst BioMed Res, CH-4056 Basel, Switzerland

[3] Syngenta Crop Protect AG, CH-4332 Stein, Switzerland

[4] MIT, Koch Inst Integrat Canc Res, Cambridge, MA 02142 USA

[5] MIT, MIT IBM Watson AI Lab, Cambridge, MA 02142 USA

[6] Harvard Med Sch, Brigham & Womens Hosp, Dept Med, Div Gastroenterol Hepatol & Endoscopy, Boston, MA 02115 USA

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 2020年 / 34卷 / 07期

关键词：

QUANTITATIVE STRUCTURE-ACTIVITY; MACHINE LEARNING-METHODS; DEEP NEURAL-NETWORKS; CHEMICAL SPACE; PREDICTION; MOLECULES; DISCOVERY; MODELS; DRIVEN; GENERATION;

D O I：

10.1007/s10822-020-00317-x

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：709 / 715

页数：7

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