Leap: molecular synthesisability scoring with intermediates.

Antonia Calvi Théophile Gaudin Dominik Miketa Dominique Sydow Liam Wilbraham

Published in: CoRR (2024)

Keyphrases

dna computing
scoring model
image processing
molecular structures
three dimensional
drug discovery
molecular dynamics
scoring methods
user interface
quantitative structure activity
drug design
sequence analysis
data sets
multi agent
multiscale
case study
website
artificial intelligence
neural network