A Way towards Reliable Predictive Methods for the Prediction of Physicochemical Properties of Chemicals Using the Group Contribution and other Methods

A Way towards Reliable Predictive Methods for the Prediction of Physicochemical Properties of Chemicals Using the Group Contribution and other Methods

Physicochemical properties of chemicals as referred to in this review include, for example, thermodynamic properties such as heat of formation, boiling point, toxicity of molecules and the fate of molecules whenever undergoing or accelerating (catalytic) a chemical reaction and therewith about chemi...

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Bibliographic Details
Main Author: Robert J. Meier
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:Applied Sciences
Subjects:
thermodynamic properties
molecular properties
physical chemical properties
chemicals
group contribution method
Ab initio method
neural network
QSPR
predictive method
Online Access:https://www.mdpi.com/2076-3417/9/8/1700

Internet

https://www.mdpi.com/2076-3417/9/8/1700

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