Analyzing Learned Molecular Representations for Property Prediction.

Angel Guzman-Perez

Kevin Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden Hua Gao Angel Guzman-Perez Timothy Hopper Brian Kelley Miriam Mathea Andrew Palmer Volker Settels Tommi S. Jaakkola Klavs F. Jensen Regina Barzilay Analyzing Learned Molecular Representations for Property Prediction. 3370-3388 2019 59 J. Chem. Inf. Model. 8 https://doi.org/10.1021/acs.jcim.9b00237 https://www.wikidata.org/entity/Q92285177 db/journals/jcisd/jcisd59.html#YangSJCEGGHKMPS19

Kevin Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden Hua Gao Angel Guzman-Perez Timothy Hopper Brian Kelley Miriam Mathea Andrew Palmer Volker Settels Tommi S. Jaakkola Klavs F. Jensen Regina Barzilay Correction to Analyzing Learned Molecular Representations for Property Prediction. 5304-5305 2019 59 J. Chem. Inf. Model. 12 https://doi.org/10.1021/acs.jcim.9b01076 https://www.wikidata.org/entity/Q91786782 db/journals/jcisd/jcisd59.html#YangSJCEGGHKMPS19a

Kevin Yang Kyle Swanson Wengong Jin Connor W. Coley Philipp Eiden Hua Gao Angel Guzman-Perez Timothy Hopper Brian Kelley Miriam Mathea Andrew Palmer Volker Settels Tommi S. Jaakkola Klavs F. Jensen Regina Barzilay Are Learned Molecular Representations Ready For Prime Time? 2019 abs/1904.01561 CoRR http://arxiv.org/abs/1904.01561 db/journals/corr/corr1904.html#abs-1904-01561

Meihua Tu Brajesh K. Rai Alan M. Mathiowetz Mary Didiuk Jeffrey A. Pfefferkorn Angel Guzman-Perez John Benbow Cristiano R. W. Guimarães Scot Mente Matthew M. Hayward Spiros Liras Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template. 1114-1123 2012 52 J. Chem. Inf. Model. 5 https://doi.org/10.1021/ci300031s https://www.wikidata.org/entity/Q44296056 db/journals/jcisd/jcisd52.html#TuRMDPGBGMHL12

Regina Barzilay John Benbow Connor W. Coley Mary Didiuk Philipp Eiden Hua Gao Cristiano Ruch Werneck GuimarãesCristiano R. W. Guimarães Matthew M. Hayward Timothy Hopper Tommi S. Jaakkola Klavs F. Jensen Wengong Jin Brian Kelley Spiros Liras Miriam Mathea Alan M. Mathiowetz Scot Mente Andrew Palmer Jeffrey A. Pfefferkorn Brajesh K. Rai Volker Settels Kyle Swanson Meihua Tu Kevin Yang