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Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Recently Bosc et al. (J Cheminform 11(1): 4, 2019), published an article describing a case study that directly compares conformal predictions with traditional QSAR methods for large-scale predictions of target-ligand binding. We consider this study to be very important. Unfortunately, we have found...

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Detalhes bibliográficos
Publicado no:J Cheminform
Autor principal: Krstajic, Damjan
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6833156/
https://ncbi.nlm.nih.gov/pubmed/33430942
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0387-y
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