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Proteochemometric modeling identifies chemically diverse norepinephrine transporter inhibitors - Protocol Files

dataset
posted on 12.09.2022, 11:59 authored by Brandon J. BongersBrandon J. Bongers, Hubert J. Sijben, Peter Hartog, Andrey Tarnovskiy, Laura Heitman, Adriaan P. IJzerman, Gerard van WestenGerard van Westen

This repository contains the Pipeline Pilot protocols and aggregated ChEMBL dataset, as described in the manuscript "Proteochemometric modeling identifies chemically diverse norepinephrine transporter inhibitors"

Funding

Research empowerment on solute carriers (ReSOLUTE)

European Commission

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History

Publisher

4TU.ResearchData

Format

Zipped files containing xml Pipeline Pilot files and sd.gz files

Organizations

Leiden Academic Centre for Drug Research (LACDR), The Netherlands Leiden University, The Netherlands Oncode Institute, Leiden, The Netherlands Enamine Ltd., Kyiv, Ukraine