11 files

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

Download all (133.99 MB) This item is shared privately
online resource
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.

If you use this workflow in your research, please cite our paper.


Carolina Center of Cancer Nanotechnology Excellence

National Cancer Institute

Find out more...


United States Department of Health and Human Services

Find out more...

North Carolina Translational & Clinical Sciences Institute (NC TraCS)

National Center for Advancing Translational Sciences

Find out more...

The Carolina Partnership

Brazilian National Council for Scientific and Technological Development (CNPq)