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Additional file 2 of Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

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Figshare2021-10-03 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/Additional_file_2_of_Scalable_estimator_of_the_diversity_for_de_novo_molecular_generation_resulting_in_a_more_robust_QM_dataset_OD9_and_a_more_efficient_molecular_optimization/16726690/1
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资源简介:
Additional file 2. Detailed CheckMol analysis.
提供机构:
Leguy, Jules; Cauchy, Thomas; Glavatskikh, Marta; Da Mota, Benoit
创建时间:
2021-10-03
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