Molecular Similarity in Drug Design

Molecular similarity searching has recently become a popular way of providing useful leads in the search for new or improved bioactive molecules. It involves evaluating a large range of chemical structures to find those which either show similarity with each other or complement a target structure. With the advancement of computer technology and improved search algorithms, evaluation of large databases of chemical structure can be performed efficiently with results which provide the necessary information to guide the construction of novel molecules with appropriate properties. This book brings together an international team of authors to provide an overview of current research. Chapters focus principally on those methods which have matured enough to be of immediate practical use in molecular design. The text is intended for the user or potential user of similarity methods. It should interest professional and academic chemists working in pharmaceutical or agrochemical fields.