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. 2016 May 5;44(Web Server issue):W557–W561. doi: 10.1093/nar/gkw390

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© The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 2. — Web server interface. The figure depicts the result page for a single protein-small molecule affinity prediction mode for CSM-Lig, which shows the numerical binding affinity prediction as the −log₁₀(K_D|K_i), an interactive GLMol session of the ligand binding location, a downloadable pymol session file to explore the interactions made by the ligand and also a link for the predicted pharmacokinetic and toxicity properties of the ligand calculated by pkCSM (23).