Computer-assisted alternative synthetic

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

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. 

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

The large amount of information to be processed and the requirement for decisions among a host of alternatives suggest the use of computers in synthetic planning. But still quite often the opinion prevails that the inventiveness of the chemist cannot expect any assistance from the computer. This challenge, and the importance of... 

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