13321_2020_420_MOESM1_ESM.zip (94.2 kB)

Additional file 1 of COVER: conformational oversampling as data augmentation for molecules

Name: Additional file 1 of COVER: conformational oversampling as data augmentation for molecules
Published: 2020-03-19T04:49:12+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Deep learning, Toxicity, Imbalanced learning, Upsampling

dataset

posted on 2020-03-19, 04:49 authored by Jennifer Hemmerich, Ece Asilar, Gerhard F. Ecker

Additional file 1. Statistical analysis.

Funding

Innovative Medicines Initiative Austrian Science Fund

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Keywords

Deep learning Toxicity Imbalanced learning Upsampling

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CC BY + CC0

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