Commit cf440e2c authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
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Merge pull request #635 from LRParser/example_docs

Adding basic dataset descriptions taken from massively multitask networks paper for #631
parents 483dbac8 0361b0a0
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# Dataset Description

This example is based on the DUD-E group; it contained 102 datasets that were designed for the evaluation of methods to predict interactions between proteins and small molecules (Mysinger et al., 2012)

B Ramsundar, S Kearnes, P Riley, D Webster, D Konerding, V Pande
arXiv preprint arXiv:1502.02072
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examples/muv/README.md

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# Dataset overview

The MUV group data contains 17 challenging datasets specifically designed to avoid common pitfalls in virtual screening (Rohrer & Baumann, 2009)

Ref: B Ramsundar, S Kearnes, P Riley, D Webster, D Konerding, V Pande
arXiv preprint arXiv:1502.02072
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# Dataset overview

The PCBA group contains data from experiments in the PubChem BioAssay database (Wang et al., 2012).

Ref: B Ramsundar, S Kearnes, P Riley, D Webster, D Konerding, V Pande
arXiv preprint arXiv:1502.02072
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# Dataset overview

The Tox21 datasets were used in the recent (Tox21 Data Challenge)[https://tripod.nih.gov/tox21/challenge/]; they contain experimental data for targets relevant to drug toxicity prediction

Ref: B Ramsundar, S Kearnes, P Riley, D Webster, D Konerding, V Pande
arXiv preprint arXiv:1502.02072
 No newline at end of file