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Additional file 3

Dataset published in 2010 by Sebastian Wolf, Stephan Schmidt, Matthias Müller-Hannemann, Steffen Neumann
This paper was not found in any repository; the policy of its publisher is unknown or unclear.
This paper was not found in any repository; the policy of its publisher is unknown or unclear.

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Abstract

Comparison_MassFrontier_MetFrag_PubChem2006. This file includes the full results from table 2 in section "Data set II searched against PubChem". The candidate search was restricted to the PubChem as of February 2006. For convenience, we also include the results reported in [8].