Is conformation relevant for QSAR purposes? 2D Chemical representation in a 3D-QSAR perspective.

Joyce K. Daré Matheus P. Freitas

Published in: J. Comput. Chem. (2022)

Keyphrases

drug discovery
drug design
chemical compounds
protein structure prediction
scientific data
data sets
closely related
viewpoint
knowledge discovery
video sequences
feature representation
representation scheme
discovery process
data structure
protein folding
artificial intelligence
data mining
neural network