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Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.

Jonathan D Tyzack, Hamse Y Mussa, Mark J Williamson, Johannes Kirchmair, Robert C Glen

OAI: oai:www.repository.cam.ac.uk:1810/248132

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Abstract

2D CUDA classification Cytochrome P450 GPU metabolism Probabilistic