The Use of Similarity and Clustering Techniques for the Prediction of Molecular Properties
作者： Geoffrey M. Downs , Peter Willett
DOI: 10.1007/978-94-011-3198-8_8
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摘要: The fine chemicals industry makes extensive use of systems for the storage and manipulation chemical structure information. primary function these is to provide facilities retrieval, but close relationship that known exist between a molecule its physical, biological properties has led increasing interest in databases prediction molecular properties.
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