COMPOUND-PROTEIN INTERACTION ESTIMATING SYSTEM

摘要

It is intended to construct a data base integrating chemical substance and biotechnology informations with respect to the interactions of multiple compounds and multiple proteins and to establish a method of exhaustive interaction analysis simultaneously satisfying computation speed and accuracy with the use thereof. There is provided an estimating method wherein on the basis of data mutually correlating information on amino acid sequence of protein, information on compound structure and information on protein-compound interaction, a structure activity correlation model capable of distinguishing from an arbitrary compound group a compound group being interactive with arbitrarily related protein and a protein group with homologous information thereon is combined with a structure activity correlation model capable of distinguishing a compound group being interactive with the protein from a compound group being interactive with the protein and homologous protein group.