Augmenting Molecular Images with Vector Representations as a Featurization Technique for Drug Classification

9 August 2020

Papers citing "Augmenting Molecular Images with Vector Representations as a Featurization Technique for Drug Classification"

9 / 9 papers shown

Title
Deep learning for molecular design - a review of the state of the art Daniel C. Elton Zois Boukouvalas M. Fuge Peter W. Chung AI4CE 3DV 70 329 0 11 Mar 2019
CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations Arindam Paul Dipendra Jha Reda Al-Bahrani W. Liao A. Choudhary Ankit Agrawal 44 43 0 14 Nov 2018
Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders E. Bjerrum Boris Sattarov BDL 39 149 0 25 Jun 2018
How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions? Garrett B. Goh Charles Siegel Abhinav Vishnu Nathan Oken Hodas Nathan Baker 46 47 0 05 Oct 2017
Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models Garrett B. Goh Charles Siegel Abhinav Vishnu Nathan Oken Hodas Nathan Baker 73 158 0 20 Jun 2017
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 115 1,012 0 25 Apr 2017
Grammar Variational Autoencoder Matt J. Kusner Brooks Paige José Miguel Hernández-Lobato BDL DRL 75 840 0 06 Mar 2017
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 137 1,449 0 02 Mar 2016
Inception-v4, Inception-ResNet and the Impact of Residual Connections on Learning Christian Szegedy Sergey Ioffe Vincent Vanhoucke Alexander A. Alemi 363 14,223 0 23 Feb 2016