References
Nicolaou CA, Brown N, Pattichis C: Molecular optimization using computational multi-objective methods. Curr Opin Drug Discov Dev. 2007, 10 (3): 316-24.
Schneider G, Fechner U: Computer-based de novo design of druglike molecules. Nat Rev Drug Discov. 2005, 4 (8): 649-663. 10.1038/nrd1799.
Brown N, McKay B, Gilardoni F, Gasteiger J: A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules. J Chem Inf Comput Sci. 2004, 44 (3): 1079-1087. 10.1021/ci034290p.