LoFT: Similarity-Driven Multiobjective Focused Library Design.

J. Robert Fischer Uta F. Lessel Matthias Rarey

Published in: J. Chem. Inf. Model. (2010)

Keyphrases

multi objective
optimum design
multiobjective optimization
design methodology
multiple objectives
data driven
design decisions
computer aided
multiobjective genetic algorithm
design principles
semantic similarity
database
optimization algorithm
trade off
digital libraries
similarity measure
artificial intelligence