Computer-assisted alternative synthetic design

Computer-Assisted Alternative Synthetic Design for Pollution Prevention at the U.S. Environmental Protection Agency... 

Alternative synthetic design, computer-assisted, for pollution prevention, 166-183 Amines... 

As computers become more pervasive and increasingly powerful, specialized programs and databases are being developed to assist in a wide variety of research efforts. This is true in the search for solvent alternatives, and in this section we review the application of computers to solvent substitution studies and cover computer-aided molecular design of new solvents, methods developed for the prediction of physical properties, methods for predicting less precise chemical characteristics such as toxicity and carcinogenicity, and computer-aided design of alternative synthetic pathways. 

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