Ligand Based Virtual Screening Using Self-organizing Maps

Author(s):  
P. B. Jayaraj ◽  
S. Sanjay ◽  
Koustub Raja ◽  
G. Gopakumar ◽  
U. C. Jaleel
2007 ◽  
Vol 47 (6) ◽  
pp. 2044-2062 ◽  
Author(s):  
Dimitar Hristozov ◽  
Tudor I. Oprea ◽  
Johann Gasteiger

2019 ◽  
Vol 24 (1) ◽  
pp. 87-92 ◽  
Author(s):  
Yvette Reisinger ◽  
Mohamed M. Mostafa ◽  
John P. Hayes

Author(s):  
Sylvain Barthelemy ◽  
Pascal Devaux ◽  
Francois Faure ◽  
Matthieu Pautonnier

Author(s):  
I. Álvarez ◽  
J.S. Font-Muñoz ◽  
I. Hernández-Carrasco ◽  
C. Díaz-Gil ◽  
P.M. Salgado-Hernanz ◽  
...  

Medicina ◽  
2021 ◽  
Vol 57 (3) ◽  
pp. 235
Author(s):  
Diego Galvan ◽  
Luciane Effting ◽  
Hágata Cremasco ◽  
Carlos Adam Conte-Junior

Background and objective: In the current pandemic scenario, data mining tools are fundamental to evaluate the measures adopted to contain the spread of COVID-19. In this study, unsupervised neural networks of the Self-Organizing Maps (SOM) type were used to assess the spatial and temporal spread of COVID-19 in Brazil, according to the number of cases and deaths in regions, states, and cities. Materials and methods: The SOM applied in this context does not evaluate which measures applied have helped contain the spread of the disease, but these datasets represent the repercussions of the country’s measures, which were implemented to contain the virus’ spread. Results: This approach demonstrated that the spread of the disease in Brazil does not have a standard behavior, changing according to the region, state, or city. The analyses showed that cities and states in the north and northeast regions of the country were the most affected by the disease, with the highest number of cases and deaths registered per 100,000 inhabitants. Conclusions: The SOM clustering was able to spatially group cities, states, and regions according to their coronavirus cases, with similar behavior. Thus, it is possible to benefit from the use of similar strategies to deal with the virus’ spread in these cities, states, and regions.


2017 ◽  
Vol 2017 ◽  
pp. 1-11 ◽  
Author(s):  
Adeoluwa Akande ◽  
Ana Cristina Costa ◽  
Jorge Mateu ◽  
Roberto Henriques

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.


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