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Information technology provides several databases, data analysis tools, and knowledge extraction techniques in almost every facet of life. In pharmaceutical sciences, several successful attempts are being made under the umbrella of pharmacoinformatics (synonymously referred to as pharmainformatics).Chemoinformatics and bioinformatics contribute directly to drug discovery through virtual screening. Topics like neuroinformatics, immunoinformatics, vaccine informatics, and biosystem informatics contribute indirectly by providing necessary inputs for pharmaceutical design in this area. Topics like metabolomics, toxicoinformatics, and ADME informatics arecontributing to this fi eld by providing information regarding the fate of a NCE/lead in vitro and in vivo conditions.The integration of back - end technologies (for storing and representing chemical structure and chemical libraries) and front - end technologies opportunities in chemoinformatics.