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Integrated KNIME-R workflow for the development of QSPR models for a dataset of polymer-drug formulations

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modified on 31.05.2019, 16:10
KNIME workflow and data used to develop QSPR models described in Alves, V. M.; Hwang, D.; Muratov, E.; Sokolsky-Papkov, M.; Varlamova, E.; Vinod, N.; Lim, C.; Andrade, C. H.; Tropsha, A.; Kabanov, A. Cheminformatics-Driven Discovery of Polymeric Micelle Formulations for Poorly Soluble Drugs. Sci. Adv. 2019, 5, eaav9784. DOI: 10.1126/sciadv.aav9784.

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Funding

Carolina Center of Cancer Nanotechnology Excellence

National Cancer Institute

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NATIONAL INSTITUTES OF HEALTH (NIH)

United States Department of Health and Human Services

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North Carolina Translational & Clinical Sciences Institute (NC TraCS)

National Center for Advancing Translational Sciences

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The Carolina Partnership

Brazilian National Council for Scientific and Technological Development (CNPq)