GENerateZ: Automatic De Novo Design of Anticancer Drugs using Transcriptomic Data, Genetic Algorithms, and Variational Autoencoders

2020 3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry, London, UK · September 1, 2020

We propose a novel machine learning architecture and technique for de novo drug discovery of anti-cancer drugs by using discrete representations of drugs’ chemical compositions and the transcriptomics of targets.