Computer-assisted molecular design

DB Boyd. Successes of computer-assisted molecular design. In KB Lipkowitz, DB Boyd, eds. Reviews in Computational Chemistry I. New York VCH, 1990, pp 355-372. 

Boyd DB. Profile of computer-assisted molecular design in industry. Quantum Chemistry Program Exchange (QCPE) Bulletin 1985 5 85-91. 

Donald B. Boyd, Successes of Computer-Assisted Molecular Design. 

Van drie, J.H., Weininger, D., and Martin, Y.C. ALADDIN an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures./. Comput.-Aided Mol. Des. 1998, 3, 225-251. 

Visualization and analysis of structures, molecular properties (thermodynamics, reactivity, spectroscopy), and molecular interactions, based on a theoretical means for predicting the structures and properties of molecules and complexes (see computer-assisted molecular design). 

CONTENTS Introduction to the Series An Editor s Foreword, Albert Padwa. Preface, Bruce E. Maryanoff and Cynthia A. Maryanoff. Computer Assisted Molecular Design Related to the Protein Kinase C Receptor, Paul A. Wenderand Cynthia M. Cribbs. Chemistry and Biology of the Immunosuppressant (-)-FK-506, Ichiro Shinkai and Nolan H. Sigal. The Development of Ketorolac Impact on Pyrrole Chemistry and on Pain Therapy, Joseph M. Muchowski. Application of Silicon Chemistry in the Corticosteroid Field, Douglas A. Livingston. Hu-perzine A-A Possible Lead Structure in the Treatment of Alzheimers Disease, Alan P. Kozikowski, X.C, Tang and Israel Hanin. Mechanism-Based-Dual-Action Cephalosporins, Harry A. Albrecht and James G. Christenson. Some Thoughts on Enzyme Inhibitors and the Quiescent Affinity Label Concept, Mien Krantz Index. 

Donald B. Boyd, Successes of Computer-Assisted Molecular Design. Ernest R. Davidson, Perspectives on Ab Initio Calculations. 

Shuji Tomoda, Basic Systems for Computer Assisted Molecular Design with Exercises, Kodansha, Tokyo, 1990. 

Computer-assisted molecular design based on three-dimensional disposition of chemical features defining a pharmacophore bioactivities of hypothetical structures predicted based on their fit to models derived from known compounds. Silicon Graphics. 

P. Rose, Computer Assisted Molecular Design Course, Jan 16-18, 1997, University of... 

Computer-assisted drug design (CADD), also called computer-assisted molecular design (CAMD), represents more recent applications of computers as tools in the drug design process, though it does not replace the human element in analyzing the data. 

CADD Computer-assisted drug design, also called computer-assisted molecular design (CAMD). 

New chemical entities (NCEs) are discovered or developed/optimized from the following (1) natural products and biodiversity screening ( Exploitation of known pharmacophores (3) rationally planned approaches, e.g., computer-assisted molecular design (4) combinatorial... 

Over 80% of the listings in Table 2 use a quantum mechanical approach to molecular modeling. None of the top ranking articles in Table 2 (or 1) deals directly with quantitative structure-activity relationships (QSAR), computer graphics, or computer-assisted molecular design (CAMD). ... 

D. B. Boyd, in Reviews in Computational Chemistry. K. B. Lipkowitz and D. B. Boyd, Eds, VCH Publishers, New York, 1990, pp. 355-371. Successes of Computer-Assisted Molecular Design. 

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