most citedComputer-aided molecular design: An introduction and review of tools, applications, and solution techniques

227 citations

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cs.CE2017★ 227 cited

Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

Nick D. Austin, Nikolaos V. Sahinidis, Daniel W. Trahan

This article provides an introduction to and review of the field of computer-aided molecular design (CAMD). It is intended to be approachable for the absolute beginner as well as u…