Optimization in molecular design and bioinformatics

Research output: Contribution to journalArticlepeer-review


This paper discussed the application of optimization techniques to the area of molecular design and bioinformatics. Key issues in the area of polymer design, surfactant design, refrigerant selection, and enzyme design were identified. In each case it was shown how the use of optimization techniques helped in "homing in" on the desired alternatives in a systematic way as opposed to time and labor intensive trial and error approach.

Original languageEnglish (US)
Pages (from-to)1157-1164
Number of pages8
JournalComputer Aided Chemical Engineering
Issue numberC
StatePublished - Dec 1 2001

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Computer Science Applications


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