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RDF dataset described in article: "A confidence predictor for logD using conformal regression and a support-vector machine" (Manuscript in preparation). The dataset contains conformal logD values at 90% confidence level, computed for 91M compounds from PubChem, in RDF format. The .hdt.gz version contains the dataset in RDF HDT format (http://www.rdfhdt.org/), compressed with tar and gzip. The archive contains both the .hdt file, and an index file, generated by the hdtSearch C++ tool. The .ttl.gz file is a gzipped file in RDF Turtle format (https://www.w3.org/TR/turtle/).
Machine Learning, Support Vector Machine, QSAR, Conformal Regression, RDF HDT, logD, RDF
Machine Learning, Support Vector Machine, QSAR, Conformal Regression, RDF HDT, logD, RDF
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