Applications of neural networks in structure-activity relationships of a small number of molecules

I. V. Tetko; A. I. Luik; G. I. Poda

doi:10.1021/jm00059a003

Applications of neural networks in structure-activity relationships of a small number of molecules

Journal of Medicinal Chemistry ◽

10.1021/jm00059a003 ◽

1993 ◽

Vol 36 (7) ◽

pp. 811-814 ◽

Cited By ~ 63

Author(s):

I. V. Tetko ◽

A. I. Luik ◽

G. I. Poda

Keyword(s):

Neural Networks ◽

Structure Activity Relationships ◽

Structure Activity

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Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors

Journal of Medicinal Chemistry ◽

10.1021/jm00113a022 ◽

1991 ◽

Vol 34 (9) ◽

pp. 2824-2836 ◽

Cited By ~ 201

Author(s):

T. A. Andrea ◽

Hooshmand Kalayeh

Keyword(s):

Neural Networks ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Reductase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

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Neural networks studies: quantitative structure–activity relationships of antifungal 1-[2-(substituted phenyl)allyl]imidazoles and related compounds

Chemosphere ◽

10.1016/s0045-6535(00)00111-9 ◽

2001 ◽

Vol 43 (3) ◽

pp. 385-390 ◽

Cited By ~ 8

Author(s):

Souâd Mghazli ◽

Abderrahim Jaouad ◽

Mohamed Mansour ◽

Didier Villemin ◽

Driss Cherqaoui

Keyword(s):

Neural Networks ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Related Compounds

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Review Biologicals & Immunologicals: Applications of artificial neural networks to quantitative structure-activity relationships

Expert Opinion on Therapeutic Patents ◽

10.1517/13543776.6.3.239 ◽

1996 ◽

Vol 6 (3) ◽

pp. 239-251 ◽

Cited By ~ 13

Author(s):

Desmond J Maddalena

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Artificial Neural

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The Applications of Artificial Neural Networks in the Identification of Quantitative Structure-Activity Relationships for Chemotherapeutic Drug Carcinogenicity

Lecture Notes in Computer Science - Advances in Intelligent Data Analysis IX ◽

10.1007/978-3-642-13062-5_14 ◽

2010 ◽

pp. 137-146 ◽

Cited By ~ 2

Author(s):

Alexander C. Priest ◽

Alexander J. Williamson ◽

Hugh M. Cartwright

Keyword(s):

Neural Networks ◽

Artificial Neural Networks ◽

Quantitative Structure ◽

Chemotherapeutic Drug ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Artificial Neural

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Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 1. Method and Validations

Journal of Medicinal Chemistry ◽

10.1021/jm970487v ◽

1997 ◽

Vol 40 (26) ◽

pp. 4347-4359 ◽

Cited By ~ 96

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

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Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 2. Applications

Journal of Medicinal Chemistry ◽

10.1021/jm970488n ◽

1997 ◽

Vol 40 (26) ◽

pp. 4360-4371 ◽

Cited By ~ 52

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

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Evolutionary Neural Networks in Quantitative Structure-Activity Relationships of Dihydrofolate Reductase Inhibitors

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19960150404 ◽

1996 ◽

Vol 15 (4) ◽

pp. 296-301 ◽

Cited By ~ 11

Author(s):

Jari KyngÃ¤s ◽

Jarkko Valjakka

Keyword(s):

Neural Networks ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Reductase Inhibitors ◽

Evolutionary Neural Networks ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

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Application of Similarity Matrices and Genetic Neural Networks in Quantitative Structure−Activity Relationships of 2- or 4-(4-Methylpiperazino)pyrimidines: 5-HT2AReceptor Antagonists

Journal of Medicinal Chemistry ◽

10.1021/jm9911332 ◽

2000 ◽

Vol 43 (10) ◽

pp. 1901-1909 ◽

Cited By ~ 12

Author(s):

Tomasz Borowski ◽

Marcin Król ◽

Ewa Brocławik ◽

Timothy C. Baranowski ◽

Lucjan Strekowski ◽

...

Keyword(s):

Neural Networks ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

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Quantitative structure-activity relationships by neural networks and inductive logic programming. II. The inhibition of dihydrofolate reductase by triazines

Journal of Computer-Aided Molecular Design ◽

10.1007/bf00125376 ◽

1994 ◽

Vol 8 (4) ◽

pp. 421-432 ◽

Cited By ~ 35

Author(s):

Jonathan D. Hirst ◽

Ross D. King ◽

Michael J. E. Sternberg

Keyword(s):

Neural Networks ◽

Logic Programming ◽

Dihydrofolate Reductase ◽

Inductive Logic Programming ◽

Inductive Logic ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure Activity Relationships of Dihydrofolate Reductase Inhibitors by Neural Networks

Protein Engineering Design and Selection ◽

10.1093/protein/6.supplement.107-b ◽

1993 ◽

Keyword(s):

Neural Networks ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Reductase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

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