Archive for the ‘QSAR modeling’ Tag

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning   Leave a comment

Recently we published on the curation of physicochemical data sets that were then made available as Open Data. The work was reported in: “An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling, SAR and QSAR in Environmental Research, K. Mansouri, C.Grulke, R. Judson and A.J. Williams, SAR […]

Posted February 19, 2017 by tony in Publications and Presentations

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