Development of Chemical Compounds Search System

Student: Gusev Alexey

Faculty: Faculty of Informatics, Mathematics, and Computer Science (HSE Nizhny Novgorod)

Educational Programme: Applied Mathematics and Information Science (Master)

Year of Graduation: 2016

This paper is devoted to chemical compounds search system development based on Distributed Active Graph Platform and Cloud MSW. This paper describes the main aspects of these platforms, the problem of finding the most similar compounds based on a molecular similarity, modern approaches to its solution, different similarity metrics (molecular fingerprints, maximal common substructure), introduced a web-interface of the system and demonstrated its efficiency.

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