Characteristic Ligand Substructures to Dopamine Receptors(Medical Data Mining)(Joint Workshop of Vietnamese Society of AI, SIGKBS-JSAI, ICS-IPSJ, and IEICE-SIGAI on Active Mining)

概要

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The structure activity relationship studies of ligands to dopamine receptor proteins have been set to one of the main target in the active mining project. Authors started to solve this problem using the cascade model and linear fragments extracted from structural formulae. The original method of analysis was found to be not sufficient to capture the characteristic substructures, and a variety of improvements are incorporated into rule derivation process and into fragment expressions. This paper reports the final results obtained in D1 agonist analysis using the current methodology. The obtained results are evaluated to provide rational hypotheses of active sites and binding sites from a viewpoint of pharmaceutical research.
一般社団法人電子情報通信学会の論文
2004-11-28