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Updated: Aug 8, 2026

Large-scale Reconstructions and Independent, Unbiased Clustering Based on Morphological Metrics to Classify Neurons in Selective Populations
Published on: February 15, 2017
Computational techniques for diversity analysis and compound classification
D B Kitchen1, F L Stahura, J Bajorath
1Department of Computer-Aided Drug Discovery, Albany Molecular Research, Inc. (AMRI), 21 Corporate Circle, Albany, NY 12212-5098, USA.
Abstract:
Molecular similarity and diversity analysis has played a significant role in computer-aided drug discovery for more than a decade. Compound classification methods have also become increasingly important for the design and organization of compound databases and in silico screening. Here we review these related methodologies and discuss selected applications.
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