Similarity and Clustering in Chemical Information Systems

Download or read book Similarity and Clustering in Chemical Information Systems written by Peter Willett and published by John Wiley & Sons. This book was released on 1987-05-06 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the latest developments in computational techniques which increase the effectiveness of the storage, retrieval, and processing of information in computerized chemical information systems. Covers the specifics of searching and clustering methods based upon the calculation of measures of similarity between chemical structures in machine-readable files. These techniques are used not only to enhance information retrieval, but also as a component of drug development programs. Chapters cover the representation of chemical structures searching files, quantitative structure-activity relationships, similarity and cluster analysis, similarity in chemical information systems, clustering in chemical information systems, and nearest neighbor searching algorithms.