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ChEMBL data sets

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posted on 2021-12-06, 13:49 authored by Tagir AkhmetshinTagir Akhmetshin, Arkadii I. Lin, Daniyar Mazitov, Evgenii Ziaikin, Timur Madzhidov, Alexandre Varnek
The standardised ChEMBL data sets from publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder"

Funding

Tagir Akhmetshin was supported financially by the Region Grand Est PhD fellowship

The research was partially supported by the subsidy allocated to Kazan Federal University for the state assignment in the sphere of scientific activities (agreement No 075-03-2021-299/6).

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    ChEMBLMolecular modelingNeural NetworkschemoinformaticsCheminformatics

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    GPL 3.0+

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