NEURAL NETWORKS - A NEW METHOD FOR SOLVING CHEMICAL PROBLEMS OR JUST A PASSING PHASE

被引：627

作者：

ZUPAN, J ^{[1
]}

GASTEIGER, J ^{[1
]}

机构：

[1] TECH UNIV MUNICH,INST ORGAN CHEM,W-8046 GARCHING,GERMANY

来源：

ANALYTICA CHIMICA ACTA | 1991年 / 248卷 / 01期

关键词：

NEURAL NETWORKS; REVIEW; PROTEIN SECONDARY STRUCTURE; FAULT-DIAGNOSIS; PATTERN-RECOGNITION; CLASSIFICATION; PREDICTION; CAPACITY; SYSTEMS; MEMORY; MODEL; NETS;

D O I：

10.1016/S0003-2670(00)80865-X

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

Recent work on neural networks in chemistry is reviewed and essential background to this fast-spreading method is given. Emphasis is placed on the back-propagation algorithm, because of the extensive use of this form of learning. Hopfield networks, adaptive bidirectional associative memory, and Kohonen learning are briefly described and discussed. Applications in spectroscopy (mass, infrared, ultraviolet, NMR), potentiometry, structure/activity relationships, protein structure, process control and chemical reactivity are summarized.

引用

页码：1 / 30

页数：30

共 92 条

[11] NEURAL NETWORKS APPLIED TO PHARMACEUTICAL PROBLEMS .3. NEURAL NETWORKS APPLIED TO QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP ANALYSIS [J].

AOYAMA, T ;

SUZUKI, Y ;

ICHIKAWA, H .

JOURNAL OF MEDICINAL CHEMISTRY, 1990, 33 (09) :2583-2590

[12] NEURAL NETWORKS APPLIED TO STRUCTURE-ACTIVITY-RELATIONSHIPS [J].

AOYAMA, T ;

SUZUKI, Y ;

ICHIKAWA, H .

JOURNAL OF MEDICINAL CHEMISTRY, 1990, 33 (03) :905-908

[13]

BARNARD E, 1989, APPL OPTICS, V20, P3129

[14]

BHAGAT P, 1990, CHEM ENG PROG, V86, P55

[15] USE OF NEURAL NETS FOR DYNAMIC MODELING AND CONTROL OF CHEMICAL PROCESS SYSTEMS [J].

BHAT, N ;

MCAVOY, TJ .

COMPUTERS & CHEMICAL ENGINEERING, 1990, 14 (4-5) :573-583

[16] A NOVEL-APPROACH TO PREDICTION OF THE 3-DIMENSIONAL STRUCTURES OF PROTEIN BACKBONES BY NEURAL NETWORKS [J].

BOHR, H ;

BOHR, J ;

BRUNAK, S ;

COTTERILL, RMJ ;

FREDHOLM, H ;

LAUTRUP, B ;

PETERSEN, SB .

FEBS LETTERS, 1990, 261 (01) :43-46

[17] PROTEIN SECONDARY STRUCTURE AND HOMOLOGY BY NEURAL NETWORKS - THE ALPHA-HELICES IN RHODOPSIN [J].

BOHR, H ;

BOHR, J ;

BRUNAK, S ;

COTTERILL, RMJ ;

LAUTRUP, B ;

NORSKOV, L ;

OLSEN, OH ;

PETERSEN, SB .

FEBS LETTERS, 1988, 241 (1-2) :223-228

[18] PROCESSING OF SIGNALS FROM AN ION-SELECTIVE ELECTRODE ARRAY BY A NEURAL NETWORK [J].

BOS, M ;

BOS, A ;

VANDERLINDEN, WE .

ANALYTICA CHIMICA ACTA, 1990, 233 (01) :31-39

[19]

BOS M, 1991, IN PRESS ANAL CHIM A

[20] NEURAL NETWORK DETECTS ERRORS IN THE ASSIGNMENT OF MESSENGER-RNA SPLICE SITES [J].

BRUNAK, S ;

ENGELBRECHT, J ;

KNUDSEN, S .

NUCLEIC ACIDS RESEARCH, 1990, 18 (16) :4797-4801

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