76 citations · 76 across the 2 of their papers we have counts for
2 papers
cs.CV2019
Phenotypic Profiling of High Throughput Imaging Screens with Generic Deep Convolutional Features
Philip T. Jackson, Yinhai Wang, Sinead Knight +5
While deep learning has seen many recent applications to drug discovery, most have focused on predicting activity or toxicity directly from chemical structure. Phenotypic changes e…
cs.LG2017★ 76 cited
Application of generative autoencoder in de novo molecular design
Thomas Blaschke, Marcus Olivecrona, Ola Engkvist +2
A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investig…