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. 2019 Jul 9;6:47. doi: 10.3389/fmolb.2019.00047

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Copyright © 2019 Wang, Shen, Zhou, Wang, Wang and Tao.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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The feature importance of residues with reference to the distance from active site for apo/product, reactant/product, and non-product/product classification models. (A) The normalized feature importance of residues within certain distance from active site (using 1 Å window). For example, the importance percentage 0.25% in 5 Å represents the importance percentage of all residues located in distance range 4–5 Å away from the active site; (B) Accumulative feature importance of residues with a certain distance from the active site. For example, the importance percentage of 5 Å represents the importance percentage including all the residues within 5 Å away from the active site.