De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach - Kawai, Kentaro; Nagata, Naoya; Takahashi, Yoshimasa (Journal of chemical information and modeling, 2014)
Keywords: Algorithms; Animals; Computational Biology; Computer Simulation; Databases, Pharmaceutical; Directed Molecular Evolution - statistics & numerical data; Drug Design; Drug Discovery - statistics & numerical data; Drugs; Humans; Ligands; Models, Chemical; Molecular Structure; Molecules; Mutation; Pharmaceuticals; Quantitative Structure-Activity Relationship; R&D; Rats; Receptor, Adenosine A2A - drug effects; Receptor, Serotonin, 5-HT1A - drug effects; Research & development