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Cheminformatics: A Modern tool in Drug Discovery


Dr. Mamta Sharma , Aditi Mahavidyala (Delhi University); Anil Kumar Dahiya, I.E.I. (India); Dr. Sunita Dahiya, Aditi Mahavidyala (Delhi University)


Cheminformatics, Drug Discovery, HTS


The introduction of the high throughput screening and the combinatorial chemistry techniques has resulted in to a huge increase in the volumes of data about structures and their bioactivities. The explosion of data has increased the need for integration of chemical information with molecular modeling techniques. Knowledge management is playing a major role in almost all chemical and pharmaceutical companies. New cheminformatics units are created to assist on-going drug discovery programs. Many studies have appeared on cheminformatics; however this paper briefly outlines the process, methodology and effective implementation of cheminformatics in both small and large organizations successfully by bridging vital link between theoretical design and in drug design through extraction of information from the data and convert into knowledge. This research will provide valuable information on the Impact of cheminformatics on drug discovery cycle, comparison of old method and new method of drug discovery, understanding bioinformatics, chemogenomics, cheminformatics and molecular modeling, use of combitorial chemistry, property evaluation, protein and ligand selection process by HTS.

Other Details

Paper ID: NCILP005
Published in: Conference 1 : NCIL 2015
Publication Date: 16/10/2015
Page(s): 18-21

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