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. 2022 Jun 2;9:836572. doi: 10.3389/fmolb.2022.836572

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Copyright © 2022 dos Santos, Borges, Silva, de Lima, Bastos, Ramos, Silva, da Silva and dos Santos.

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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(A) HCA dendrogram built considering pharmacophoric features and TI values. (B) HCA dendrogram for compounds of training set - more similar in blue cluster and less similar in red cluster.