Block‐wise Exploration of Molecular Descriptors with Multi‐block Orthogonal Component Analysis (MOCA)

Data tables for machine learning and structure‐activity relationship modelling (QSAR) are often naturally organized in blocks of data, where multiple molecular representations or sets of descriptors form the blocks. Multi‐block Orthogonal Component Analysis (MOCA), a new analytical tool, can be used...

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Detalles Bibliográficos
Autores principales: Schmidt, Sebastian, Schindler, Michael, Eriksson, Lennart
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9285065/
https://www.ncbi.nlm.nih.gov/pubmed/34878230
http://dx.doi.org/10.1002/minf.202100165

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9285065/
https://www.ncbi.nlm.nih.gov/pubmed/34878230
http://dx.doi.org/10.1002/minf.202100165

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