Learning More, with Less

被引:6
作者
Sanchez-Lengeling, Benjamin [1 ]
Aspuru-Guzik, Alan [1 ]
机构
[1] Harvard Univ, Chem Biol, Dept Chem, 12 Oxford St, Cambridge, MA 02138 USA
关键词
D O I
10.1021/acscentsci.7b00153
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Teaching computer algorithms chemical intuition" can improve their predictions. © 2017 American Chemical Society."
引用
收藏
页码:275 / 277
页数:3
相关论文
共 12 条
[1]  
[Anonymous], 2015, ADV NEURAL INFORM PR
[2]  
[Anonymous], ACS CENT SCI
[3]  
[Anonymous], AUTOMATIC CHEM DESIG
[4]  
[Anonymous], DISTILL
[5]  
Gómez-Bombarelli R, 2016, NAT MATER, V15, P1120, DOI [10.1038/nmat4717, 10.1038/NMAT4717]
[6]   Hybrid computing using a neural network with dynamic external memory [J].
Graves, Alex ;
Wayne, Greg ;
Eynolds, Malcolm R. ;
Harley, Tim ;
Danihelka, Ivo ;
Grabska-Barwinska, Agnieszka ;
Colmenarejo, Sergio Gomez ;
Grefenstette, Edward ;
Amalho, Tiago R. ;
Agapiou, John ;
Badia, Adria Puigdomenech ;
Hermann, Karl Moritz ;
Zwols, Yori ;
Strovski, Georg O. ;
Ain, Adam C. ;
King, Helen ;
Summerfield, Christopher ;
Lunsom, Phil B. ;
Kavukcuoglu, Koray ;
Hassabis, Demis .
NATURE, 2016, 538 (7626) :471-+
[7]   Communication: Understanding molecular representations in machine learning: The role of uniqueness and target similarity [J].
Huang, Bing ;
von Lilienfeld, O. Anatole .
JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (16)
[8]  
Kipf T.N., 2017, 5 INT C LEARNING REP, DOI DOI 10.48550/ARXIV.1609.02907
[9]   Chemical space [J].
Kirkpatrick, P ;
Ellis, C .
NATURE, 2004, 432 (7019) :823-823
[10]  
LeCun Y., 2015, NATURE, V521, DOI [DOI 10.1038/NATURE14539, 10.1038/nature14539]