e15_smile_train.txt (633.03 MB)

Compound dataset for pre-training

Name: Compound dataset for pre-training
Published: 2022-01-30T03:36:13+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Compound dataset, Bioinformatics

dataset

posted on 2022-01-30, 03:36 authored by Naifeng WenNaifeng Wen

SMILEs for 15547091 compounds, corresponding paper URL is https://arxiv.org/abs/2006.02431.

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Compound dataset Bioinformatics

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CC BY 4.0

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