Reviews in Computational Chemistry

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

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.

Okładka tylna:
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 fi eld, 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