Abstract
The fine chemicals industry makes extensive use of systems for the storage and manipulation of chemical structure information. The primary function of these systems is to provide facilities for storage and retrieval, but the close relationship that is known to exist between the structure of a molecule and its physical, chemical and biological properties has led to increasing interest in the use of chemical structure databases for the prediction of molecular properties.
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Downs, G.M., Willett, P. (1991). The Use of Similarity and Clustering Techniques for the Prediction of Molecular Properties. In: Devillers, J., Karcher, W. (eds) Applied Multivariate Analysis in SAR and Environmental Studies. Eurocourses: Chemical and Environmental Science, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-3198-8_8
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DOI: https://doi.org/10.1007/978-94-011-3198-8_8
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