s for Realistically Novel Compounds.

Eric J. Martin Valery R. Polyakov Li Tian Rolando C. Perez

Published in: J. Chem. Inf. Model. (2017)

Keyphrases

molecular structure
drug discovery
experimental data
chemical compounds
electronic nose
neural network
image segmentation
real time
real world
knowledge base
reinforcement learning
multi agent
quality evaluation
cell lines