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Maximizing the Performance of Similarity-Based Virtual Screening Methods by Generating Synergy from the Integration of 2D and 3D Approaches

Methods for the pairwise comparison of 2D and 3D molecular structures are established approaches in virtual screening. In this work, we explored three strategies for maximizing the virtual screening performance of these methods: (i) the merging of hit lists obtained from multi-compound screening usi...

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Detalles Bibliográficos
Autores principales:	Fan, Ningning, Hirte, Steffen, Kirchmair, Johannes
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9322642/ https://www.ncbi.nlm.nih.gov/pubmed/35887097 http://dx.doi.org/10.3390/ijms23147747

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