Compound dataset and custom code for deep generative multi-target compound design.

Published in: Future science OA (2021)

MT-CPD design via deep learning is still at its conceptual stages. It will be required to demonstrate experimental impact. The data and software we provide enable further investigation of MT-CPD design and generation of candidate molecules for experimental programs.

Keyphrases

deep learning
public health
electronic health record
machine learning
artificial intelligence
data analysis