Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

by Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W. T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J. P. van Westen
Published 2017-08-01