Quantitative structure–property relationship studies for estimating boiling points of alcohols using calculated molecular descriptors with radial basis function neural networks

Property Relationship ◽

Boiling Points ◽

Radial basis function network-based quantitative structure–property relationship for the prediction of Henry’s law constant

Analytica Chimica Acta ◽

10.1016/s0003-2670(02)00273-8 ◽

2002 ◽

Vol 462 (1) ◽

pp. 101-117 ◽

Cited By ~ 30

Author(s):

Xiaojun Yao ◽

Mancang Liu ◽

Xiaoyun Zhang ◽

Zhide Hu ◽

Botao Fan

Keyword(s):

Radial Basis Function ◽

Basis Function ◽

Radial Basis Function Network ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Radial Basis ◽

Function Network

Development of a Quantitative Structure−Property Relationship Model for Estimating Normal Boiling Points of Small Multifunctional Organic Molecules

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci990311x ◽

2000 ◽

Vol 40 (1) ◽

pp. 81-90 ◽

Cited By ~ 19

Author(s):

David T. Stanton

Keyword(s):

Organic Molecules ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Boiling Points ◽

Relationship Model

Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure−Property Relationship for Prediction and Validation [J. Chem. Inf. Comput. Sci. 44, 187−192 (2004)]

Journal of Chemical Information and Modeling ◽

10.1021/ci049617g ◽

2005 ◽

Vol 45 (2) ◽

pp. 534-534

Author(s):

T. Öberg

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Aliphatic Compounds ◽

Property Relationship ◽

Boiling Points ◽

Quantitative Structure−Property Relationship (QSPR) Prediction of Solvation Gibbs Energy of Bifunctional Compounds by Recursive Neural Networks†

Journal of Chemical & Engineering Data ◽

10.1021/je100535p ◽

2010 ◽

Vol 55 (12) ◽

pp. 5425-5428 ◽

Cited By ~ 9

Author(s):

Luca Bernazzani ◽

Celia Duce ◽

Alessio Micheli ◽

Vincenzo Mollica ◽

Maria Rosaria Tiné

Keyword(s):

Neural Networks ◽

Gibbs Energy ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Recursive Neural Networks ◽

Bifunctional Compounds ◽

The development of a quantitative structure property relationship (QSPR) for the prediction of dielectric constants using neural networks

Analytica Chimica Acta ◽

10.1016/s0003-2670(98)00781-8 ◽

1999 ◽

Vol 384 (3) ◽

pp. 285-303 ◽

Cited By ~ 42

Author(s):

Robert C Schweitzer ◽

Jeffrey B. Morris

Keyword(s):

Neural Networks ◽

Dielectric Constants ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

ChemInform Abstract: Quantitative Structure-Property Relationship Study of Normal Boiling Points for Halogen-/ Oxygen-/ Sulfur-Containing Organic Compounds Using the CODESSA Program

ChemInform ◽

10.1002/chin.199845271 ◽

2010 ◽

Vol 29 (45) ◽

pp. no-no

Author(s):

O. IVANCIUC ◽

T. IVANCIUC ◽

A. T. BALABAN

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Boiling Points ◽

Relationship Study ◽

Sulfur Containing

Prediction of the melting points of fatty acids from computed molecular descriptors: A quantitative structure–property relationship study

Chemistry and Physics of Lipids ◽

10.1016/j.chemphyslip.2011.10.001 ◽

2012 ◽

Vol 165 (1) ◽

pp. 1-6 ◽

Cited By ~ 14

Author(s):

Abdelkrim Guendouzi ◽

Sidi Mohamed Mekelleche

Keyword(s):

Fatty Acids ◽

Molecular Descriptors ◽

Quantitative Structure ◽

Structure Property ◽

Melting Points ◽

Property Relationship ◽

Relationship Study

Quantitative structure-property relationship: XIX. Boiling points of chloroaliphatic compounds

Russian Journal of General Chemistry ◽

10.1007/s11176-005-0145-x ◽

2004 ◽

Vol 74 (8) ◽

pp. 1243-1246

Author(s):

I. B. Golovanov ◽

S. M. Zhenodarova

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Boiling Points ◽

Quantitative Structure−Property Relationship (QSPR) Models for Boiling Points, Specific Gravities, and Refraction Indices of Hydrocarbons

Energy & Fuels ◽

10.1021/ef049903u ◽

2005 ◽

Vol 19 (1) ◽

pp. 152-163 ◽

Cited By ~ 15

Author(s):

Zhanyao Ha ◽

Zbigniew Ring ◽

Shijie Liu

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽

Boiling Points ◽

ChemInform Abstract: Prediction of Henry′s Law Constants by a Quantitative Structure-Property Relationship and Neural Networks.

ChemInform ◽

10.1002/chin.200148221 ◽

2010 ◽

Vol 32 (48) ◽

pp. no-no

Author(s):

Niall J. English ◽

Daniel G. Carroll

Keyword(s):

Neural Networks ◽

Quantitative Structure ◽

Structure Property ◽

Property Relationship ◽