Adapting the Structure of a Neural Network to Extract Chemical Information. Application to Structure-Odour Relationships

References

• Baur , A. 1891 . Studien über den künstlichen Moschus . Ber. Dtsch. Chem. Ges. , 24 : 2832 – 2841 .
   Google Scholar
• Zakarya , D. 1988 . Relations structure-odeur de musc. Mise au point d'une nouvelle méthode: G. E. S. D. E. M PhD thesis, no. 02–88 L, Lyon I.
   Google Scholar
• Beets , M. G. J. 1978 . Structure-Activity Relationships in Human Chemoreception , London : Applied Science Publishers .
   Google Scholar
• Ham , C. L. and Jurs , P. C. 1985 . Structure-activity studies of musk odorants using pattern recognition: Monocyclic nitrobenzenes . Chem. Senses , 10 : 491 – 505 .
   Google Scholar
• Brugger , W. E. and Jurs , P. C. 1977 . Extraction of important molecular features of musk compounds using pattern recognition techniques . J. Agri. Food Chem. , 25 : 1158 – 1165 .
   PubMed Web of Science ®Google Scholar
• Chastrette , M. and De Saint Laumer , J. Y. 1995 . Structure-odor relationships using neural networks . Eur. J. Med. Chem. , 26 : 829 – 833 .
   Google Scholar
• Bersuker , B. , Dimoglo , A. S. , Gorbachev , M. Y. , Vlad , P. P. and Pesaro , M. 1991 . Origin of musk fragrance activity: The electron-topologic approach . New J. Chem. , 15 : 307 – 320 .
   Google Scholar
• Aoyama , T. , Suzuki , Y. and Ichikawa , H. 1990 . Neural networks applied to structure-activity relationships . J. Med. Chem. , 33 : 905 – 908 .
   PubMed Web of Science ®Google Scholar
• Aoyama , T. , Suzuki , Y. and Ichikawa , H. 1990 . Neural networks applied to quantitative structure-activity relationships analysis . J. Med. Chem. , 33 : 2583 – 2590 .
   PubMedGoogle Scholar
• Aoyama , T. and Ichikawa , H. 1991 . Obtaining the correlation indices between drug activity and structural parameters using a neural network . Chem. Pharm. Bull. , 39 : 372 – 378 .
   Google Scholar
• Gevins , A. S. , Stone , R. K. and Ragsdale , S. D. 1988 . Differentiating the effects of three benzodiazepines on non-REM sleep EEG spectra . Neuropsychobiology , 19 : 108 – 115 .
   Google Scholar
• Zupan , J. and Gasteiger , J. 1991 . Neural networks: A new method for solving chemical problems or just a passing phase? . Anal. Chim. Acta , 248 : 1 – 30 .
   Web of Science ®Google Scholar
• Holley , L. H. and Karplus , M. 1989 . Protein secondary structure prediction with a neural network . Proc. Natl. Acad. Sci. USA , 86 : 152 – 156 .
   PubMed Web of Science ®Google Scholar
• Elrod , D. W. , Maggiora , G. and Trenary , R. G. 1990 . Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions . J. Chem. Inf. Comput. Sci. , 30 : 477 – 484 .
   Google Scholar
• Long , J. R. , Mayfield , H. T. , Henley , M. V. and Kromann , P. R. 1991 . Pattern recognition of jet fuel chromatographic data by artifical neural networks with backpropagation of error . Anal. Chem. , 63 : 1256 – 1261 .
   Google Scholar
• De Saint Laumer , J. Y. , Chastrette , M. and Devillers , J. 1991 . “ Multilayer neural network applied to structure-activity relationships ” . In Applied Multivariate Analysis in SAR and Environmental Studies , Edited by: Devillers , J. and Karcher , W. 479 – 521 . Dordrecht : Kluwer Academic Publishers .
   Google Scholar
• Chastrette , M. and Zakarya , D. 1988 . Sur le role de la liaison hydrogène dans l'interaction entre les récepteurs olfactifs et les molécules à odeur de musc . C. R. Acad. Sci. Paris , 307 : 1185 – 1188 . Série II
   Google Scholar
• Chastrette , M. and Zakarya , D. 1991 . “ Molecular structure and smell ” . In The Human Sense of Smell , Edited by: Laing , D. G. , Doty , R. L. and Breipohl , W. 77 – 92 . Berlin : Springer Verlag .
   Google Scholar
• Pauling , L. 1960 . The Nature of the Chemical Bond, , third Edition , New York : Cornell University Press .
   Google Scholar
• Bondi , A. 1964 . Van der Waals volumes and radii . J. Phys. Chem. , 68 : 441 – 451 .
   Web of Science ®Google Scholar
• De Saint Laumer , J. Y. 1990 . Neural Nets Software , Laboratoire de chimie organique physique, Université Lyon I .
   Google Scholar
• Rumelhart , D. E. , Hinton , G. E. and Williams , R. J. 1986 . Learning representations by back-propagating errors . Nature (London) , 323 : 533 – 536 .
   Web of Science ®Google Scholar
• Le Cun , Y. A learning procedure for asymmetric networks . Proceedings of Cognitiva 1985 . pp. 599 – 604 . Paris
   Google Scholar
• Foucart , T. 1982 . Analyse Factorielle, Programmation sur Micro-ordinateur , Paris : Masson .
   Google Scholar
• Chastrette , M. , Zakarya , D. and Elmouaffek , A. 1986 . Relations structure-odeur dans la famille des muses benzéniques nitrés . Eur. J. Med. Chem. , 21 : 505 – 510 .
   Google Scholar