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Unraveling the origin of splice switching activity of hemoglobin beta-globin gene modulators via QSAR modeling

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posted on 2015-11-21, 18:37 authored by Saw SimeonSaw Simeon, Rickard Moller, Daniel Almgren, Hao Li, Chuleeporn Phanus-umporn, Virapong Prachayasittikul, Leif Bülow, Chanin NantasenamatChanin Nantasenamat

This supplementary data is comprised of 3 files as follows:

1. active.zip (CSV of the set of active compounds)

2. inactive.zip (CSV of the set of inactive compounds)

3. 50models.zip (CSV for 50 models derived from independent data splits)

Note: Each CSV file are comprised of the SMILES, CID, Activity class label for 50models.zip as well as the selected features.

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    Keywords

    hemoglobinthalassemiaBeta-thalassemiabioinformaticscheminformaticsqsardata miningBioinformaticsCheminformaticsPharmacologyHematology

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    CC BY 4.0

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