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

Jonathan D. Hirst; Ross D. King; Michael J. E. Sternberg

doi:10.1007/bf00125375

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

Journal of Computer-Aided Molecular Design ◽

10.1007/bf00125375 ◽

1994 ◽

Vol 8 (4) ◽

pp. 405-420 ◽

Cited By ~ 50

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

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

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

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

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

Quantitative structure–activity relationships by evolved neural networks for the inhibition of dihydrofolate reductase by pyrimidines

Biosystems ◽

10.1016/s0303-2647(01)00192-7 ◽

2002 ◽

Vol 65 (1) ◽

pp. 37-47 ◽

Cited By ~ 15

Author(s):

Dana G Landavazo ◽

Gary B Fogel ◽

David B Fogel

Keyword(s):

Neural Networks ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Drug design by machine learning: the use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.89.23.11322 ◽

1992 ◽

Vol 89 (23) ◽

pp. 11322-11326 ◽

Cited By ~ 122

Author(s):

R. D. King ◽

S. Muggleton ◽

R. A. Lewis ◽

M. J. Sternberg

Keyword(s):

Machine Learning ◽

Drug Design ◽

Logic Programming ◽

Dihydrofolate Reductase ◽

Inductive Logic Programming ◽

Inductive Logic ◽

Structure Activity Relationships ◽

Structure Activity

Quantitative Structure−Activity Relationships of 2,4-Diamino-5-(2-X-benzyl)pyrimidines versus Bacterial and Avian Dihydrofolate Reductase†

Journal of Medicinal Chemistry ◽

10.1021/jm970776j ◽

1998 ◽

Vol 41 (22) ◽

pp. 4261-4272 ◽

Cited By ~ 13

Author(s):

Cynthia Dias Selassie ◽

Wei-Xi Gan ◽

Lara S. Kallander ◽

Teri E. Klein

Keyword(s):

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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

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

On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships

Journal of Medicinal Chemistry ◽

10.1021/jm00128a035 ◽

1989 ◽

Vol 32 (8) ◽

pp. 1895-1905 ◽

Cited By ~ 25

Author(s):

Cynthia Dias Selassie ◽

Zhaoxia Fang ◽

Renli Li ◽

Corwin Hansch ◽

Gargi Debnath ◽

...

Keyword(s):

Drug Design ◽

Comparative Study ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Molecular Graphics ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships