Large scale analysis of protein-binding cavities using self-organizing maps and wavelet-based surface patches to describe functional properties, selectivity discrimination, and putative cross-reactivity

2007 ◽  
Vol 71 (3) ◽  
pp. 1288-1306 ◽  
Author(s):  
Katrin Kupas ◽  
Alfred Ultsch ◽  
Gerhard Klebe
Keyword(s):  
Protein Binding ◽  
Functional Properties ◽  
Large Scale ◽  
Cross Reactivity ◽  
Scale Analysis ◽  
Self Organizing Maps ◽  
Surface Patches ◽  
Large Scale Analysis ◽  
Self Organizing

scholarly journals Geospatial Analysis of Extreme Weather Events in Nigeria (1985–2015) Using Self-Organizing Maps

2017 ◽  
Vol 2017 ◽  
pp. 1-11 ◽  
Author(s):  
Adeoluwa Akande ◽  
Ana Cristina Costa ◽  
Jorge Mateu ◽  
Roberto Henriques
Keyword(s):  
Extreme Precipitation ◽  
Large Scale ◽  
Northern Region ◽  
Extreme Weather Events ◽  
Self Organizing Map ◽  
Spatial And Temporal Patterns ◽  
Self Organizing Maps ◽  
The North ◽  
Precipitation Regimes ◽  
Self Organizing

The explosion of data in the information age has provided an opportunity to explore the possibility of characterizing the climate patterns using data mining techniques. Nigeria has a unique tropical climate with two precipitation regimes: low precipitation in the north leading to aridity and desertification and high precipitation in parts of the southwest and southeast leading to large scale flooding. In this research, four indices have been used to characterize the intensity, frequency, and amount of rainfall over Nigeria. A type of Artificial Neural Network called the self-organizing map has been used to reduce the multiplicity of dimensions and produce four unique zones characterizing extreme precipitation conditions in Nigeria. This approach allowed for the assessment of spatial and temporal patterns in extreme precipitation in the last three decades. Precipitation properties in each cluster are discussed. The cluster closest to the Atlantic has high values of precipitation intensity, frequency, and duration, whereas the cluster closest to the Sahara Desert has low values. A significant increasing trend has been observed in the frequency of rainy days at the center of the northern region of Nigeria.

scholarly journals Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches

2021 ◽  
Author(s):  
Mehdi A. Beniddir ◽  
Kyo Bin Kang ◽  
Grégory Genta-Jouve ◽  
Florian Huber ◽  
Simon Rogers ◽  
...  
Keyword(s):  
Natural Product ◽  
Large Scale ◽  
Scale Analysis ◽  
Computational Tools ◽  
Natural Product Discovery ◽  
Large Scale Analysis ◽  
Metabolite Annotation

This review highlights the key computational tools and emerging strategies for metabolite annotation, and discusses how these advances will enable integrated large-scale analysis to accelerate natural product discovery.

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