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Items tagged with "scaffold clustering" (1)

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Workflows (1)

Workflow Scaffold Analysis | Statistical analysis o... (1)

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This workflow performs an extraction and statistical analysis of Murcko scaffolds for compounds being active against (a) different target(s). Specifically, target-wise detection of Murcko Scaffolds in active versus inactive compounds, filtering steps by removing too generic scaffold (i.e., number of rings equals to one OR number of heteroatoms in a ring is zero or one), calculating the frequency of a particular scaffold which appears frequently in the active over inactive class, applying Fish...

Created: 2018-10-25

Credits: User Alžbeta Türková User Barbara Zdrazil

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Non-Information Resource URI: https://www.myexperiment.org/tags/6078


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