pubchemAssaysRAW.zip (1.75 GB)

pubchemAssaysRAW.zip

Name: pubchemAssaysRAW.zip
Published: 2019-03-04T22:12:53+00:00
License: https://opensource.org/licenses/MIT
Keywords: Machine Learning Techniques, chemistry/biochemistry, Cheminformatics, Computational Chemistry

dataset

posted on 2019-03-04, 22:12 authored by Oliver LaufkotterOliver Laufkotter

PubChem HTS assays referenced in publication.

these files were used for training, testing, and validation of the model.

Funding

Horizon 2020 676434

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Keywords

Machine Learning Techniques chemistry/biochemistry Cheminformatics Computational Chemistry

Licence

MIT

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