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Chemical space exploration guided by deep neural networks

A parametric t-SNE approach based on deep feed-forward neural networks was applied to the chemical space visualization problem. It is able to retain more information than certain dimensionality reduction techniques used for this purpose (principal component analysis (PCA), multidimensional scaling (...

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Detalles Bibliográficos
Autores principales:	Karlov, Dmitry S., Sosnin, Sergey, Tetko, Igor V., Fedorov, Maxim V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060647/ https://www.ncbi.nlm.nih.gov/pubmed/35514634 http://dx.doi.org/10.1039/c8ra10182e

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