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. 2022 Oct 20;13:1040838. doi: 10.3389/fphar.2022.1040838

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Copyright © 2022 Faramarzi, Kim, Volpe, Cross, Chakravarti and Stavitskaya.

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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Leadscope model analysis. (A) Selected chemical features with highest and lowest Z-scores. The arrow shows the order of Z-scores associated with features in the model. (B) Correlation (R ²) between pairs of physicochemical features. (C) Histogram of the predictivity (blue bars) and frequency (grey bars) as a function of probability in LS model.