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Self‐Organizing Maps for In Silico Screening and Data Visualization
Author(s) -
Digles Daniela,
Ecker Gerhard F.
Publication year - 2011
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201100082
Subject(s) - in silico , visualization , computer science , data visualization , data mining , computational biology , data science , chemistry , biology , biochemistry , gene
Self‐organizing maps, which are unsupervised artificial neural networks, have become a very useful tool in a wide area of disciplines, including medicinal chemistry. Here, we will focus on two applications of self‐organizing maps: the use of self‐organizing maps for in silico screening and for clustering and visualisation of large datasets. Additionally, the importance of parameter selection is discussed and some modifications to the original algorithm are summarised.