Mathematics as a basis for chemistry

Journal of Chemical Information and Computer Sciences

Volumn 37, Issue 4, 1997, Pages 639-644

  Milne, G W A ^a  

^a NATIONAL CANCER INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

POLYMER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; DRUG DESIGN; MATHEMATICS; STRUCTURE ACTIVITY RELATION; SYNTHESIS;

ALGORITHMS; CHEMISTRY; DRUG DESIGN; MATHEMATICS; MODELS, CHEMICAL; POLYMERS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0031178199     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci960165k     Document Type: Article

References (21)

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17. An early and very clear explanation of the design and operation of a neural network has been provided by Elrod et al. See: Elrod, D.; Maggiora, G. M.; Trenary, R. G. Applications of Neural Networks in Chemistry. 1. Prediction of Electrophilic Aromatic Substitution Reactions. J. Chem. Inf. Comput. Sci. 1990, 30, 477-484.
18. The use of neural networks in chemistry has been pioneered by Gasteiger and Zupan, who have produced two landmark publications on the subject. See: Zupan, J.; Gasteiger, J. Neural Networks: A New Method for Solving Chemical Problems or Just a Passing Phase? Anal. Chim. Acta 1991, 248, 1-30. Zupan, J.; Gasteiger, J. Neural Networks for Chemists; VCH Publishers: New York, 1993.
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