Chemoinformatics: Theory, Practice & Products covers the theory, commerciallyavailable packages and applications of Chemoinformatics. Chemoinformatics isbroadly defined as the use of information technology to assist in the acquisition,analysis and management of data and information relating to chemical compoundsand their properties. This includes molecular modeling, reactions, spectra and structure-activity relationships associated with chemicals. Computational scientists,chemists, and biologists all rely on the rapidly evolving field of Chemoinformatics.Chemoinformatics: Theory, Practice & Products is an essential handbook for determiningthe right Chemoinformatics method or technology to use. There has been anexplosion of new Chemoinformatics tools and techniques. Each technique has its ownutility, scope, and limitations, as well as meeting resistance to use by experimentalists.The purpose of Chemoinformatics: Theory, Practice & Products is to provide computationalscientists, medicinal chemists and biologists with unique practical informationand the underlying theories relating to modern Chemoinformatics and relateddrug discovery informatics technologies.The book also provides a summary of currently available, state-of-the-art, commercialChemoinformatics products, with a specific focus on databases, toolkits, andmodeling technologies designed for drug discovery. It will be broadly useful as a referencetext for experimentalists wishing to rapidly navigate the expanding field, aswell as the more expert computational scientists wishing to stay up to date.It is primarily intended for applied researchers from the chemical and pharmaceuticalindustry, academic investigators, and graduate students.The purpose of “Chemoinformatics: Theory, Practice, & Products” is to providescientists with practical information and a fundamental understanding of the latestchemoinformatics technol