Adaptive Resonance Theory Based Neural Networks Explored for Pattern Recognition Analysis of QSAR data
作者： D. Wienke , D. Domine , L Buydens , J. Devillers
DOI: 10.1016/B978-012213815-7/50007-8
关键词:
摘要: The family of adaptive resonance theory (ART) based artificial neural networks is concerned with distinct theoretical models for unsupervised and supervised pattern recognition. aim the paper presented in this chapter to explore interest ART algorithms quantitative structure–activity relationships (QSAR). In after a brief presentation neurophysiological basis different paradigms, ART-2a FuzzyART are presented, heuristic potency these methods illustrated from two case studies. former dealing headspace analysis roses clearly shows didactic manner how set parameters results can be interpreted. second study real-life application showing techniques optimal test series selection. compared those obtained hierarchical cluster visual mapping methods. advantages drawbacks each method discussed. Furthermore, features methodology such as rapid training speed, self-organization behavior, interpretability network weights also
sci-hub.se 参考文章(107)
H. Budzinski, Ph. Garrigues, J. Connan, J. Devillers, D. Domine, M. Radke, J.L. Oudins, ALKYLATED PHENANTHRENE DISTRIBUTIONS AS MATURITY AND ORIGIN INDICATORS IN CRUDE OILS AND ROCK EXTRACTS Geochimica et Cosmochimica Acta. ,vol. 59, pp. 2043- 2056 ,(1995) , 10.1016/0016-7037(95)00125-5
J.R. Whiteley, J.F. Davis, Qualitative interpretation of sensor patterns IEEE Intelligent Systems. ,vol. 8, pp. 54- 63 ,(1993) , 10.1109/64.207429
S. Grossberg, Adaptive pattern classification and universal recoding: I. Parallel development and coding of neural feature detectors Biological Cybernetics. ,vol. 23, pp. 121- 134 ,(1976) , 10.1007/BF00344744
Dietrich. Wienke, Ning. Gao, Philip K. Hopke, Multiple site receptor modeling with a minimal spanning tree combined with a neural network. Environmental Science & Technology. ,vol. 28, pp. 1023- 1030 ,(1994) , 10.1021/ES00055A010
Dietrich Wienke, Ying Xie, Philip K. Hopke, Classification of Airborne Particles by Analytical Scanning Electron-Microscopy Imaging and a Modified Kohonen Neural-Network (3map) Analytica Chimica Acta. ,vol. 310, pp. 1- 14 ,(1995) , 10.1016/0003-2670(95)00128-M
Gail A. Carpenter, Stephen Grossberg, ART 3: Hierarchical Search Using Chemical Transmitters in Self-Organizing Pattern Recognition Architectures Neural Networks. ,vol. 3, pp. 129- 152 ,(1990) , 10.1016/0893-6080(90)90085-Y
S.P. Vriend, P.F.M. van Gaans, J. Middelburg, A. de Nijs, The application of fuzzy c-means cluster analysis and non-linear mapping to geochemical datasets: examples from Portugal Applied Geochemistry. ,vol. 3, pp. 213- 224 ,(1988) , 10.1016/0883-2927(88)90009-1
Qian Liu, Shuichi Hirono, Ikuo Moriguchi, Application of Functional-Link Net in QSAR. 1. QSAR for Activity Data Given by Continuous Variate Quantitative Structure-activity Relationships. ,vol. 11, pp. 135- 141 ,(1992) , 10.1002/QSAR.19920110203
D. Wienke, W. van den Broek, L. Buydens, T. Huth-Fehre, R. Feldhoff, T. Kantimm, K. Cammann, Adaptive resonance theory based neural network for supervised chemical pattern recognition (FuzzyARTMAP) Part 2: Classification of post-consumer plastics by remote NIR spectroscopy using an InGaAs diode array Chemometrics and Intelligent Laboratory Systems. ,vol. 32, pp. 165- 176 ,(1996) , 10.1016/0169-7439(95)00070-4
Dietrich Wienke, Ying Xie, Philip K. Hopke, An adaptive resonance theory based artificial neural network (ART-2a) for rapid identification of airborne particle shapes from their scanning electron microscopy images Chemometrics and Intelligent Laboratory Systems. ,vol. 25, pp. 367- 387 ,(1994) , 10.1016/0169-7439(94)85054-2