Tools for Computer-Aided Molecular and Mixture Design
This thesis explores mathematical optimization techniques to address the computeraided molecular and mixture design problems (CAMD/CAMxD). In particular, we leverage the power of mixed-integer linear programs (MILPs) to quickly and efficiently design over the massive chemical search space. These MIL...
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| Format: | Others |
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Research Showcase @ CMU
2017
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| Online Access: | http://repository.cmu.edu/dissertations/894 http://repository.cmu.edu/cgi/viewcontent.cgi?article=1933&context=dissertations |