Dataset Open Access
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/).