Articles with "efficient novo" as a keyword



Photo from wikipedia

A Pareto Algorithm for Efficient De Novo Design of Multi‐functional Molecules

Sign Up to like & get
recommendations!
Published in 2017 at "Molecular Informatics"

DOI: 10.1002/minf.201600044

Abstract: We have introduced a Pareto sorting algorithm into Synopsis, a de novo design program that generates synthesizable molecules with desirable properties. We give a detailed description of the algorithm and illustrate its working in 2… read more here.

Keywords: efficient novo; novo design; design multi; pareto algorithm ... See more keywords