The fitness function used for ranking and selection in Autogrow4 was modified to guide the evolutionary process, resulting in the generation of ligands with higher logBB values. A set of designed drugs, predicted to bind to GABA-T with high affinity and high LogBB were generated, that were predicted to be BBB permeable and chemically synthesizable and had no violations of any of Lipinsky's rules. Inhibitors of GABA-T are potential therapeutics for neurological disorders such as Epilepsy, Addiction, Huntington's disease and Multiple sclerosis .