Computational tools computer-assisted drug design

KARMA is an interactive computer assisted drug design tool that incorporates quantitative structure-activity relationships (QSAR), conformational analysis, and three-dimensional graphics. It represents a novel approach to receptor mapping analysis when the x-ray structure of the receptor site is not known, karma utilizes real time interactive three-dimensional color computer graphics combined with numerical computations and symbolic manipulation techniques from the field of artificial intelligence. [Pg.147]

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. [Pg.15]

A. Rusinko, HI, Tools for Computer Assisted Drug Design Ph D. thesis, University ofTexas at Austin (1988). [Pg.72]

Manallack, D.T. and Livingstone, D.J., Neural networks a tool for drug design, in Advanced Computer-Assisted Techniques in Drug Discovery, van de Waterbeemd, H., Ed., VCH, Weinheim, 1993, pp. 293-319. [Pg.180]