Progress in Computer-Aided Molecular Design Based on Group Contribution Method

Abstract Group contribution method can be used not only to estimate the properties of compounds,but also in computer-aided molecular design(CAMD).The principle of the CAMD based on group contribution method and its applications in solvents and polymers design were described in detail.And the methodology used in CAMD was also introduced.With the increase of the demand for green solvents and new polymers,the CAMD based on group contribution method will apply widely in these fields.

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Received 2007-09-15; published 2007-09-15

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SHENG Wei-xin,RONG Zong-ming,YING Xu-gen.Progress in Computer-Aided Molecular Design Based on Group Contribution Method[J] Chemcial Industry and Engineering, 2007,V24(5): 457-465

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