Machine-learning of Topological Pharmacophores from Fingerprints

5 Machine-learning of Topological Pharmacophores from Fingerprints 

An intermediate between similarity searching and descriptor-selection based QSAR, self-organizing maps (SOM), will be mentioned first. SOMs try to classify a population of individuals (each described by a fingerprint) into a fixed number of final categories, by assigning to each such category (or neuron ) a 

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