Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference?

María Virginia Sabando Ignacio Ponzoni Evangelos E. Milios Axel J. Soto

Published in: CoRR (2021)

Keyphrases

drug design
drug discovery
decision trees
distance measure
fine grained
vector space
manifold learning
euclidean space
database
information systems
dimensionality reduction
modeling framework