Visualization and Analysis of the REACH‐chemical Space with Generative Topographic Mapping

2020 ◽  
Author(s):  
Filippo Lunghini ◽  
Marcou Gilles ◽  
Philippe Azam ◽  
Marie‐Hélène Enrici ◽  
Erik Van Miert ◽  
...  
2016 ◽  
Vol 6 (4) ◽  
pp. 464-472 ◽  
Author(s):  
Timur R. Gimadiev ◽  
Timur I. Madzhidov ◽  
Gilles Marcou ◽  
Alexandre Varnek

1998 ◽  
Vol 21 (1-3) ◽  
pp. 203-224 ◽  
Author(s):  
Christopher M. Bishop ◽  
Markus Svensén ◽  
Christopher K.I. Williams

Author(s):  
M.I. Cardenas ◽  
A. Vellido ◽  
I. Olier ◽  
X. Rovira ◽  
J. Giraldo

The world of pharmacology is becoming increasingly dependent on the advances in the fields of genomics and proteomics. The –omics sciences bring about the challenge of how to deal with the large amounts of complex data they generate from an intelligence data analysis perspective. In this chapter, the authors focus on the analysis of a specific type of proteins, the G protein-couple receptors, which are the target for over 15% of current drugs. They describe a kernel method of the manifold learning family for the analysis of protein amino acid symbolic sequences. This method sheds light on the structure of protein subfamilies, while providing an intuitive visualization of such structure.


2017 ◽  
Vol 31 (8) ◽  
pp. 701-714 ◽  
Author(s):  
Igor I. Baskin ◽  
Vitaly P. Solov’ev ◽  
Alexander A. Bagatur’yants ◽  
Alexandre Varnek

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