venres, novembro 8, 2019

venres, 8 novembro, 2019 -
10:00 - 11:00

One of the main problems encountered by chemical and pharmaceutical industries when discovering a new compound is the identification and elimination of known replicas in an early stage of the research. For making this identification process effective, it is necessary to use chemoinformatic techniques capable of performing fast searches in large databases of molecular data, which, in addition to conventional data, include molecular structures, spectra and chromatograms. In this thesis, solutions for storing, indexing and searching, both analytical information and molecular structures are provided.