商品簡介
Chemists and other physical scientists and engineers, along with computer scientists and related researchers and practitioners describe the current status of cheminformatics, which uses computational techniques and methods to study and solve complex chemical problems. The topics include the structural classification of complex molecules by artificial intelligence techniques, a new stochastic methodology for discovering high-through-put materials, a homotopy pertuburation approach to the analytical solution of cubic autocatalytic reaction-diffusion equations, applying macromolecular QSAR (quantitative structure-activity relationships) theory, and computational techniques to predict binding affinity in drugs. Annotation c2011 Book News, Inc., Portland, OR (booknews.com)
