Deep learning-driven prediction of drug mechanism of action from large-scale chemical-genetic interaction profiles.

Chengyou LiuAndrew M HoganHunter SturmMohd Wasif KhanMd Mohaiminul IslamA S M Zisanur RahmanRebecca DavisSilvia T CardonaPingzhao Hu

Published in: Journal of cheminformatics (2022)

This work provides an analytical framework for modeling large-scale chemical-genetic datasets for predicting CGIPs and generating hypothesis about mechanism of action of novel drugs. In addition, this work highlights the importance of graph-based deep neural networks in drug discovery.

Keyphrases

neural network
drug discovery
deep learning
genome wide
convolutional neural network
copy number
gene expression
dna methylation