Based on Waiters' GERM([3])(Genetic Evolved Receptor Model) algorithm, an improved algorithm PARM(Pseudo Atomic Receptor Model) was put forward. FARM uses combination of genetic algorithm and cross-validation tech...Based on Waiters' GERM([3])(Genetic Evolved Receptor Model) algorithm, an improved algorithm PARM(Pseudo Atomic Receptor Model) was put forward. FARM uses combination of genetic algorithm and cross-validation technique to produce atomic-level pseudo receptor model, based on a set of known structure-activity relationship. This algorithm has been applied to one system and afforded reasonable results. In recent years, there have appeared numerous computer programs([1,2]) which can build potential new ligands, based on three-dimensional structure of a receptor protein. Hower, in drug discovery, it is common to have measured activity data for a set of compounds acting upon a particular receptor protein but not to have knowledge of the three-dimensional structure of the protein active site. To solve this kind of problem, in present work, we put forward a FARM algorithm which was based on Waiters' GERM algorithm to predict bioactivity.展开更多
文摘Based on Waiters' GERM([3])(Genetic Evolved Receptor Model) algorithm, an improved algorithm PARM(Pseudo Atomic Receptor Model) was put forward. FARM uses combination of genetic algorithm and cross-validation technique to produce atomic-level pseudo receptor model, based on a set of known structure-activity relationship. This algorithm has been applied to one system and afforded reasonable results. In recent years, there have appeared numerous computer programs([1,2]) which can build potential new ligands, based on three-dimensional structure of a receptor protein. Hower, in drug discovery, it is common to have measured activity data for a set of compounds acting upon a particular receptor protein but not to have knowledge of the three-dimensional structure of the protein active site. To solve this kind of problem, in present work, we put forward a FARM algorithm which was based on Waiters' GERM algorithm to predict bioactivity.
