dataset · Zenodo (CERN European Organization for Nuclear Research)
The abstract on record is too brief for a reliable plain-language summary, so none has been generated.
This repository contains the supporting data and computational notebooks associated with the study “Readout-Dependent Structure–Activity Relationships at GPR35 Revealed by Assay-Aware QSAR and Support-Calibrated Natural-Product Screening.” The archive includes curated endpoint summaries, validation split manifests, nested QSAR benchmark results, representation and label sensitivity analyses, Y-scrambling results, cross-readout transfer analyses, local SAR and activity-cliff data, prospective NPASS prioritization outputs, retrospective GPR35 stress-test results, and the three notebooks used for data modeling, structural interpretation/docking, and prospective natural-product screening. Raw ChEMBL 37 and NPASS 3.0 databases are not redistributed and should be obtained from their respective providers.
This page summarises published work. The authoritative version sits with the publisher.
DOI: 10.5281/zenodo.22042155
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