Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks

Niall J. English; Daniel G. Carroll

doi:10.1021/ci010361d

Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci010361d ◽

2001 ◽

Vol 41 (5) ◽

pp. 1150-1161 ◽

Cited By ~ 41

Author(s):

Niall J. English ◽

Daniel G. Carroll

Keyword(s):

Neural Networks ◽

Quantitative Structure ◽

Henry's Law ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Henry’S Law ◽

Property Relationship ◽

Structure Property Relationship ◽

Henry’S Law Constants ◽

Henry's Law Constants

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Air−Water Henry's Law Constants for PCB Congeners: Experimental Determination and Modeling of Structure−Property Relationship

Analytical Chemistry ◽

10.1021/ac0604742 ◽

2006 ◽

Vol 78 (15) ◽

pp. 5412-5418 ◽

Cited By ~ 14

Author(s):

Fu Fang ◽

Shaogang Chu ◽

Chia-Swee Hong

Keyword(s):

Experimental Determination ◽

Henry's Law ◽

Structure Property ◽

Henry’S Law ◽

Pcb Congeners ◽

Property Relationship ◽

Structure Property Relationship ◽

Henry’S Law Constants ◽

Henry's Law Constants

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Quantitative structure-property relationship (QSPR) for prediction of CO2 Henry’s law constant in some physical solvents with consideration of temperature effects

Korean Journal of Chemical Engineering ◽

10.1007/s11814-017-0018-0 ◽

2017 ◽

Vol 34 (5) ◽

pp. 1405-1415 ◽

Cited By ~ 6

Author(s):

Ali Ebrahimpoor Gorji ◽

Zahra Eshaghi Gorji ◽

Siavash Riahi

Keyword(s):

Temperature Effects ◽

Quantitative Structure ◽

Henry's Law ◽

Structure Property ◽

Henry’S Law Constant ◽

Henry's Law Constant ◽

Quantitative Structure Property Relationship ◽

Henry’S Law ◽

Property Relationship ◽

Structure Property Relationship

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Quantitative structure property relationship for Henry's law constant of some alkane isomers

Thermochimica Acta ◽

10.1016/j.tca.2010.10.007 ◽

2011 ◽

Vol 512 (1-2) ◽

pp. 273-277 ◽

Cited By ~ 3

Author(s):

Sagarika Sahoo ◽

Sabita Patel ◽

B.K. Mishra

Keyword(s):

Quantitative Structure ◽

Henry's Law ◽

Structure Property ◽

Henry’S Law Constant ◽

Henry's Law Constant ◽

Quantitative Structure Property Relationship ◽

Henry’S Law ◽

Property Relationship ◽

Structure Property Relationship

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A Fuzzy ARTMAP-Based Quantitative Structure−Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci025561j ◽

2002 ◽

Vol 43 (1) ◽

pp. 85-112 ◽

Cited By ~ 38

Author(s):

Denise Yaffe ◽

Yoram Cohen ◽

Gabriela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Organic Compounds ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Henry's Law ◽

Structure Property ◽

Henry’S Law Constant ◽

Quantitative Structure Property Relationship ◽

Henry’S Law ◽

Property Relationship ◽

Structure Property Relationship

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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 ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Recursive Neural Networks ◽

Bifunctional Compounds ◽

Structure Property Relationship

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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 ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship

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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 ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship

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Formulation optimization for thermoplastic sizing polyetherimide dispersion by quantitative structure–property relationship: experiments and artificial neural networks

Journal of Materials Science ◽

10.1007/s10853-014-8601-9 ◽

2014 ◽

Vol 50 (1) ◽

pp. 420-426 ◽

Cited By ~ 4

Author(s):

A. Malho Rodrigues ◽

S. Franceschi ◽

E. Perez ◽

J.-C. Garrigues

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Formulation Optimization ◽

Property Relationship ◽

Structure Property Relationship ◽

Artificial Neural

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Quantitative Structure-Property Relationship Study of the Solvent Polarity Using Wavelet Neural Networks

Analytical Sciences ◽

10.2116/analsci.23.937 ◽

2007 ◽

Vol 23 (8) ◽

pp. 937-942 ◽

Cited By ~ 6

Author(s):

Kobra ZAREI ◽

Morteza ATABATI ◽

Malihe EBRAHIMI

Keyword(s):

Neural Networks ◽

Solvent Polarity ◽

Quantitative Structure ◽

Structure Property ◽

Wavelet Neural Networks ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship ◽

Relationship Study

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

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/j.chemolab.2004.03.002 ◽

2004 ◽

Vol 72 (1) ◽

pp. 93-100 ◽

Cited By ~ 24

Author(s):

Qianfeng Li ◽

Xingguo Chen ◽

Zhide Hu

Keyword(s):

Neural Networks ◽

Radial Basis Function ◽

Basis Function ◽

Molecular Descriptors ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Boiling Points ◽

Structure Property Relationship

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