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molucn-data

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Version 3 2023-06-02, 16:54
Version 2 2022-10-03, 14:41
Version 1 2022-09-30, 09:47
dataset
posted on 2023-06-02, 16:54 authored by Kenza AmaraKenza Amara, Jose Salvador Jimenez Luna, Raquel Rodriguez Perez

Pairs of ligands for 350 protein targets; 

GNN training scores for molucn;

Final scores of feature attribution methods.

Funding

Microsoft research

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    Keywords

    explainable aidrug discoverybenchmarkcongeneric seriesCheminformaticsCheminformatics and Quantitative Structure-Activity Relationships

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    CC BY 4.0

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