A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds

Denise Yaffe; Yoram Cohen; Gabriela Espinosa; Alex Arenas; Francesc Giralt

doi:10.1021/ci010323u

A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci010323u ◽

2001 ◽

Vol 41 (5) ◽

pp. 1177-1207 ◽

Cited By ~ 45

Author(s):

Denise Yaffe ◽

Yoram Cohen ◽

Gabriela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Organic Compounds ◽

Aqueous Solubility ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text

ChemInform Abstract: A Fuzzy ARTMAP Based on Quantitative Structure-Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds.

ChemInform ◽

10.1002/chin.200148223 ◽

2010 ◽

Vol 32 (48) ◽

pp. no-no

Author(s):

Denise Yaffe ◽

Yoram Cohen ◽

Gariela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Organic Compounds ◽

Aqueous Solubility ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text

Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure−Property Relationships (QSPRs) for Octanol−Water Partition Coefficient of Organic Compounds

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci0103267 ◽

2002 ◽

Vol 42 (2) ◽

pp. 162-183 ◽

Cited By ~ 32

Author(s):

Denise Yaffe ◽

Yoram Cohen ◽

Gabriela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Neural Networks ◽

Partition Coefficient ◽

Organic Compounds ◽

Back Propagation ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Water Partition Coefficient ◽

Quantitative Structure Property Relationships

Download Full-text

ChemInform Abstract: Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure-Property Relationships (QSPRs) for Octanol-Water Partition Coefficient of Organic Compounds.

ChemInform ◽

10.1002/chin.200222228 ◽

2010 ◽

Vol 33 (22) ◽

pp. no-no

Author(s):

Danise Yaffe ◽

Yoram Cohen ◽

Gabriela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Neural Networks ◽

Partition Coefficient ◽

Organic Compounds ◽

Back Propagation ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Water Partition Coefficient ◽

Quantitative Structure Property Relationships

Download Full-text

Quantitative structure?property relationships for auto-ignition temperatures of organic compounds

Fire and Materials ◽

10.1002/fam.810180204 ◽

1994 ◽

Vol 18 (2) ◽

pp. 81-88 ◽

Cited By ~ 23

Author(s):

Takahiro Suzuki

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Auto Ignition ◽

Quantitative Structure Property Relationships

Download Full-text

ChemInform Abstract: Quantitative Structure-Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures.

ChemInform ◽

10.1002/chin.200042238 ◽

2000 ◽

Vol 31 (42) ◽

pp. no-no

Author(s):

Heidi Engelhardt McClelland ◽

Peter C. Jurs

Keyword(s):

Organic Compounds ◽

Molecular Structures ◽

Quantitative Structure ◽

Vapor Pressures ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text

A Fuzzy ARTMAP Based Quantitative Structure−Property Relationship (QSPR) for Predicting Aqueous Solubility of Organic Compounds J. Chem. Inf. Comput. Sci. 41, 1177−1207 (2001)

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci020482t ◽

2002 ◽

Vol 42 (3) ◽

pp. 768-768 ◽

Cited By ~ 1

Author(s):

Denise Yaffe ◽

Yoram Cohen ◽

Gabriela Espinosa ◽

Alex Arenas ◽

Francesc Giralt

Keyword(s):

Organic Compounds ◽

Aqueous Solubility ◽

Fuzzy Artmap ◽

Quantitative Structure ◽

Structure Property ◽

Quantitative Structure Property Relationship ◽

Property Relationship ◽

Structure Property Relationship

Download Full-text

Quantitative Structure−Property Relationships for the Prediction of Vapor Pressures of Organic Compounds from Molecular Structures

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci990137c ◽

2000 ◽

Vol 40 (4) ◽

pp. 967-975 ◽

Cited By ~ 48

Author(s):

Heidi Engelhardt McClelland ◽

Peter C. Jurs

Keyword(s):

Organic Compounds ◽

Molecular Structures ◽

Quantitative Structure ◽

Vapor Pressures ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text

Automatic formation method for structural descriptors of organic compounds for quantitative structure?property relationships

Russian Chemical Bulletin ◽

10.1007/bf00703684 ◽

1994 ◽

Vol 43 (8) ◽

pp. 1317-1319

Author(s):

M. I. Kumskov ◽

L. A. Ponomareva ◽

E. A. Smolenskii ◽

D. F. Mitushev ◽

N. S. Zefirov

Keyword(s):

Organic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Structural Descriptors ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships ◽

Formation Method ◽

Automatic Formation

Download Full-text

Dehalogenation of persistent halogenated organic compounds: A review of computational studies and quantitative structure–property relationships

Chemosphere ◽

10.1016/j.chemosphere.2015.02.013 ◽

2015 ◽

Vol 131 ◽

pp. 17-33 ◽

Cited By ~ 22

Author(s):

Jin Luo ◽

Jiwei Hu ◽

Xionghui Wei ◽

Liya Fu ◽

Lingyun Li

Keyword(s):

Organic Compounds ◽

Computational Studies ◽

Quantitative Structure ◽

Structure Property ◽

Halogenated Organic Compounds ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text

Prediction of Aqueous Solubility of a Diverse Set of Compounds Using Quantitative Structure−Property Relationships

Journal of Medicinal Chemistry ◽

10.1021/jm020266b ◽

2003 ◽

Vol 46 (17) ◽

pp. 3572-3580 ◽

Cited By ~ 138

Author(s):

Ailan Cheng ◽

Kenneth M. Merz

Keyword(s):

Aqueous Solubility ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

Download Full-text