Research Catalog

Title

Advanced computer-assisted techniques in drug discovery / edited by Han van de Waterbeemd.

Publication

Weinheim ; New York : VCH, [1995], ©1995.

Items in the Library & Off-site

Holdings

Details

Additional Authors

Waterbeemd, Han van de.

Description

pages; cm.

Series Statement

Methods and principles in medicina chemistry ; v. 3

Uniform Title

Methods and principles in medicinal chemistry ; v. 3.

Subjects

• Models, Chemical
• Structure-Activity Relationship
• Pharmaceutical chemistry > Data processing
• Drugs > Research > Data processing
• Drug Design
• Computer-Aided Design
• QSAR (Biochemistry)
• Drugs > Design > Data processing
• Mathematical Computing

Bibliography (note)

• Includes bibliographical references.

Contents

• 1. Introduction / H. van de Waterbeemd -- 2. 3D QSAR: The Integration of QSAR with Molecular Modeling. Chemometrics and Molecular Modeling / D. Pitea, U. Cosentino, G. Moro, L. Bonati, E. Fraschini, M. Lasagni and R. Todeschini. 3D QSAR Methods / A. M. Davis. GOLPE: Philosophy and Applications in 3D QSAR / G. Cruciani and S. Clementi -- 3. Rational Use of Chemical and Sequence Databases. Molecular Similarity Analysis: Applications in Drug Discovery / M. A. Johnson, G. M. Maggiora, M. S. Lajiness, J. B. Moon, J. D. Petke and D. C. Rohrer. Clustering of Chemical Structure Databases for Compound Selection / G. M. Downs and P. Willett. Receptor Mapping and Phylogenetic Clustering / P. J. Lewi and H. Moereels -- 4. Advanced Statistical Techniques. Continuum Regression: A New Algorithm for the Prediction of Biological Activity / J. A. Malpass, D. W. Salt, M. G. Ford, E. W. Wynn and D. J. Livingstone. Molecular Taxonomy by Correspondence Factorial Analysis (CFA) / J.-C. Dore and T. Ojasoo.
• Analysis of Embedded Data: k-Nearest Neighbor and Single Class Discrimination / V. S. Rose, J. Wood and H. J. H. MacFie. Quantitative Analysis of Structure-Activity-Class Relationships by (Fuzzy) Adaptive Least Squares / K.-J. Schaper. Alternating Conditional Expectations in QSAR / B. W. Clare -- 5. Neural Networks and Expert Systems in Molecular Design. Neural Networks - A Tool for Drug Design / D. T. Manallack and D. J. Livingstone. Rule Induction Applied to the Derivation of Quantitative Structure-Activity Relationships / M. A-Razzak and R. C. Glen.

ISBN

3527292489 (alk. paper) :

LCCN

94039495

OCLC

• 31436528
• ocm31436528

Owning Institutions

Columbia University Libraries