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MSc Cheminformatics Cheminformatics Applications Helen Cooke Deadline: 8th December 2003 The origins, applications and current research trends in Cheminformatics 1.0 Introduction The aim of this investigation is to examine the origins and roots of Cheminformatics, and show how the literature of the subject has evolved since 1996 and convey the current areas of research activity. The terms "cheminformatics," "chemoinformatics," "chemi-informatics," and "chemical information science" are all used to describe a range of computer techniques and applications to solve chemistry problems. The first definition of Chemoinformatics was given by Frank Brown: "The use of information technology and management has become a crucial part of drug discovery process. Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and organization1" 2.0 Roots of Cheminformatics In 1990 a project was designed to grow together with the Internet and the...

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