A computer aided framework for prediction of properties of organic systems
作者： Hugo E. González Villalba , Jens Abildskov , Rafiqul Gani
DOI: 10.1016/S1570-7946(07)80047-2
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摘要: Abstract This paper presents a systematic computer aided framework for modeling and prediction of pure component mixture properties very wide range chemicals properties. Together with the extended GC + property models mixtures, provides feature missing group interaction parameters (for properties) by employing an atom-connectivity approach. The also model parameter regression to fine-tune existing regress new parameters.
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