Title:	METHOD OF CHEMICAL FORMULAS COMPARISON
Author(s):	Nataliya A. Vayngolts, Dmitriy M. Korobkin, Sergey A. Fomenkov, Sergey G. Kolesnikov and Alla G. Kravets
ISBN:	978-989-8533-92-0
Editors:	Ajith P. Abraham and Jörg Roth
Year:	2019
Edition:	Single
Keywords:	Chemical Formula, SMILES, InChi, MDL Molfile, Molecular Fingerprint, Patent Database Analysis
Type:	Full Paper
First Page:	151
Last Page:	158
Language:	English
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Full Contents:	click to dowload
Paper Abstract:	To establish the uniqueness of patented technology a patent examiner needs to compare the patent application with the existing patent array documents and make sure there are no present analogs of the suggested invention. Analyzing chemical classes patents requires to compare chemical formulas which can be represented in various formats including MDL, InChI, SMILES, structural formulas, molecular fingerprints. This paper describes the development of a software module that automates the procedures for converting various methods of chemical formulas formalization, chemical formulas contained in a patent application and patent array documents comparison, similar patents revealing based on the results of the comparison of chemical compounds taken from patents. The implemented software module has shown high efficiency (high values of completeness and accuracy for searching patent analogs based on chemical formulas, low values of information loss and information noise) during control check on a test patent array.
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