HYBIRD FRAGMENT-LIGAND MODELING FOR CLASSIFYING CHEMICAL COMPOUNDS

摘要

A structure activity relationship model is used for determining whether unknown chemical compounds are of a desired classification where the structure activity relationship model is based on a set of known chemical compounds having known structural or biological descriptors. The structure activity relationship model determines whether unknown chemical compounds are of the desired classification, where the system and method compare descriptors of the known chemical compounds to structural and/or biological descriptors of the unknown chemical compounds to determine whether the test chemical compounds are of the desired classification. structure activity relationship model is used studying how particular agents may induce disease or act as therapeutic agents. Furthermore, the model may also be used to study in general how groups of agents induce disease or act as therapeutic agents and to study the etiology and treatment of disease in general.