フィンガープリントの識別能における影響因子の検討

稲次 豊広; 中山 伸一

doi:10.11545/ciqs.2013.0.O1.0

36th Symposium on Chemical Information and Computer Sciences, Tsukuba

DOI https://doi.org/10.11545/ciqs.2013.0.O1.0

Conference information

Host: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan, Japanese Society for Information and Systems in Education (Approaval)

Oral Session

Study of the influence factors in the discrimination of fingerprints

*Toyohiro Inatsugi, Shin-ichi Nakayama

Author information

Keywords: fingerprint, structural descriptor, discrimination, compound database

CONFERENCE PROCEEDINGS FREE ACCESS

Pages O1

Details

Abstract

We already defined the "discrimination" as an index representing the characteristics of the fingerprint which is one of the structure descriptor. Since the usage of each bit of fingerprints in compound database is reflect to the discrimination, it is necessary to clarify dataset dependency for the discrimination. In this study, we examined the dataset dependency of the discrimination by using various datasets. The discrimination values for some different compound databases were different among databases. Also we considered a molecular weight, which indicate numerically the size of the compound, as influential factors. Discriminations for datasets that are separated by molecular weight had different pattern among fingerprints. Those results show that the discrimination has dataset dependency.

Corresponding author

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