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Improved Scaffold Hopping in Ligand-Based Virtual Screening Using Neural Representation Learning.
Luka Stojanovic
Milos Popovic
Nebojsa Tijanic
Goran Rakocevic
Marko Kalinic
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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virtual screening
learning process
learning algorithm
drug discovery
neural network
reinforcement learning
supervised learning
gene expression
high throughput
content analysis