Reviews in Computational Chemistry, Volume 16

ISBN-13: 9780471386674 / Angielski / Twarda / 2000 / 368 str.

Donald B. Boyd; Kenny B. Lipkowitz; Kenny B. Lipkowitz

Opis

The chapters in this series are approached in a tutorial manner and written in a non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise. The authors provide the necessary background and theory, strategies for using the methods correctly, pitfalls to avoid, applications and references.

Recenzje

"Describes computational chemistry tools useful for molecular design and other research applications." (SciTech Book News, March 2001)

"...it is absolutely impossible without help to follow all the fields, sub–fields...that have branched off [of computational chemistry]. We are certainly fortunate to have a continuing series like Reviews in Computational Chemistry to provide some help. Volume 16 continues that tradition." (Journal of Molecular Graphics Modelling, Vol. 19, No. 6, 2001)

"...continues the tradition of up–to–date and insightful reviews in all areas of computational chemistry." (Journal of the American Chemical Society, Vol. 123, No. 35, 2001)

Spis treści

Cumputer–Aided Molecular Diversity Analysis and Combinatorial Library Design (R. Lewis, et al.).

Artificial Neural Networks and Their Use in Chemistry (K. Peterson).

Use of Force Fields in Materials Modeling (J.–R. Hill, et al.).

Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities (M. Reddy, et al.).

Indexes.

Blurb

Volume 16

Reviews In Computational Chemistry

Kenny B. Lipkowitz and Donald B. Boyd

The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials and designing new substances, and (4) free energy perturbation methods of practical usefulness in ligand design.

From Reviews of the Series

"This series spans all the subdisciplines in the field, from techniques to practical applications, and includes reviews from many of the acknowledged leaders in the field. the reviews cross many subdisciplines yet are both general enough to be of wide interest while including detailed information of use to workers in particular subdisciplines." –Journal of the American Chemical Society