一种预测某些环烷烃沸点的新化学计量学工具

2016 8th International Conference on Electronics, Computers and Artificial Intelligence (ECAI) Pub Date : 2016-06-01 DOI:10.1109/ECAI.2016.7861154

A. Beteringhe, I. Sima

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摘要

我们得到了一个新的分子描述符，称为BETSIM，包含并暗示了分子路径代码。BETSIM参与了27种环烷烃沸点预测的高功率模型的建立。

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A new chemometric tool to predict the boiling points of some cycloalkanes

We have obtained a new molecular descriptor, called BETSIM, containing and implying the molecular path code. BETSIM it was involved in obtaining a model with high power of prediction of boiling point of 27 cycloalkanes.

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2016 8th International Conference on Electronics, Computers and Artificial Intelligence (ECAI)

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