A new method for the prediction of enthalpy of alkanes between C 6 and C 10 from molecular structures has been proposed.
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks · 36 Citations · 12 References.
Models relating relationships between molecular structure descriptors and enthalpy of alkanes were constructed by means of radial basis function neural networks ...
Sep 1, 1993 · Prediction of enthalpy of alkanes by the use of radial basis function neural networks. Computers & Chemistry 2001, 25 (5) , 475-482. https ...
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Oct 22, 2024 · We train artificial neural networks to predict the physical properties of linear, single branched, and double branched alkanes.
Prediction of the flash points of alkanes by group bond contribution method using artificial neural networks · Research Article · Published: October 2007.
Radial basis function neural network-based QSPR for the prediction ... Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks.
QSPR MLR and RBFNN models have been developed to predict the critical temperature, critical pressure and acentric factor over a database of 306 organic ...
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Jul 1, 1994 · Prediction of enthalpy of alkanes by the use of radial basis function neural networks. Computers & Chemistry 2001, 25 (5) , 475-482. https ...
Random forests for feature selection in QSPR Models - an ... - NCBI
www.ncbi.nlm.nih.gov › PMC3599435
In this paper an alternative selection method, based on Random Forests to determine the variable importance is proposed in the context of QSPR regression ...