MolDiA:  A Novel Molecular Diversity Analysis Tool. 1. Principles and Architecture

We introduce the principles and the architecture of a user-friendly software named MOLDIA (Molecular Diversity Analysis) which aims to the comparison of diverse molecular data sets through an XML structured database of predefined fragments. The MOLDIA descriptors are composed of complex fingerprint-...

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Bibliographic Details
Published inJournal of chemical information and modeling Vol. 47; no. 6; pp. 2197 - 2207
Main Authors Maldonado, Ana G, Doucet, Jean-Pierre, Petitjean, Michel, Fan, Bo-Tao
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 01.11.2007
Subjects
Algorithms
Comparative analysis
Computer architecture
Computers
Extensible Markup Language
Fuzzy logic
Molecular biology
Molecular Structure
Software
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