Browsing Supercomputer Education and Research Centre (SERC) by Subject "Chemical Molecules"
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Ranking And Classification of Chemical Structures for Drug Discovery : Development of Fragment Descriptors And Interpolation Scheme
(2017-12-01)Deciphering the activity of chemical molecules against a pathogenic organism is an essential task in drug discovery process. Virtual screening, in which few plausible molecules are selected from a large set for further ...