Using Computers to Deliver Green Chemistry: In Silico Techniques for Designing and Developing Chemical Reactions

Organizers: Jared L. Piper, Director of Process Chemistry, Pfizer, Groton, CT; Jason M. Stevens, Senior Research Investigator II, Bristol Myers Squibb, Summit, NJ

Cosponsor: ACS Green Chemistry Institute Pharmaceutical Roundtable

Many tools are being created that augment human decision making and focus on large sets of data to determine trends. These techniques have the potential to minimize the number of experiments to arrive at an ideal synthesis, hypothesis, or process. In addition, models and in silico techniques can probe hypothetical situations that could prove challenging to set-up in a laboratory due to cost or safety considerations. Papers describing recent advances in computer-assisted chemistry methods are encouraged.