Published December 5, 2017 | Version v2
Dataset Open

RDF Dataset for article: A confidence predictor for logD using conformal regression and a support-vector machine

Creators

  • 1. Department of Pharmaceutical Biosciences, Uppsala University

Description

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/).

Files

Files (11.8 GB)

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md5:056a90cfa4bc9b87ae1eb71ebae15d2d
7.5 GB Download
md5:a7d3c964050faaca5e55147c32f3b999
4.3 GB Download