De Novo Molecular Design using a Graph-Based Genetic Algorithm Approach

Computer Aided Chemical Engineering

Volumn 33, Issue , 2014, Pages 7-12

  Herring, Robert H ^a   Eden, Mario R ^a  

^a AUBURN UNIVERSITY   (United States)

Author keywords

Descriptors; Genetic algorithm; Molecular design

Indexed keywords

EID: 84902963793     PISSN: 15707946     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-444-63456-6.50002-8     Document Type: Chapter

References (9)

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9. Weis D., Faulon J.-L., LeBorne R., Visco D. The Signature Molecular Desciptor. 5. The Design of Hydrofluoroether Foam Blowing Agents Using Inverse-QSAR. Ind.Eng. Chem.Res. 2005, 44:8883-8891.