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Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling

Generative Topographic Mapping (GTM) can be efficiently used to visualize, analyze and model large chemical data. The GTM manifold needs to span the chemical space deemed relevant for a given problem. Therefore, the Frame set (FS) of compounds used for the manifold construction must well cover a giv...

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Detalles Bibliográficos
Autores principales: Lin, Arkadii, Baskin, Igor I., Marcou, Gilles, Horvath, Dragos, Beck, Bernd, Varnek, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7757192/
https://www.ncbi.nlm.nih.gov/pubmed/32347666
http://dx.doi.org/10.1002/minf.202000009