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MOESM2 of Mordred: a molecular descriptor calculator

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Figshare2018-02-07 更新2026-04-29 收录
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Additional file 2. A confirmation of the variation among descriptor values calculated by Mordred and other software programs (PaDEL-Descriptor, chemopy and e-dragon).The results of some descriptors (e.g., 0167) are not available in all software because the descriptor of the molecule cannot be algorithmically calculated.

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2018-02-07
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