Accelerating high-throughput virtual screening through molecular pool-based active learning.

David E. Graff Eugene I. Shakhnovich Connor W. Coley

Published in: CoRR (2020)

Keyphrases

virtual screening
high throughput
pool based active learning
active learning
microarray
systems biology
biological data
protein protein interactions
drug discovery
mass spectrometry
semi supervised
data sets
similarity searching
data acquisition
machine learning
life sciences
labeled data