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 ◽  
...  
Keyword(s):  
Chemical Space ◽  
Topographic Mapping ◽  
Generative Topographic Mapping

Generative Topographic Mapping Approach to Modeling and Chemical Space Visualization of Human Intestinal Transporters

2016 ◽  
Vol 6 (4) ◽  
pp. 464-472 ◽  
Author(s):  
Timur R. Gimadiev ◽  
Timur I. Madzhidov ◽  
Gilles Marcou ◽  
Alexandre Varnek
Keyword(s):  
Chemical Space ◽  
Topographic Mapping ◽  
Generative Topographic Mapping ◽  
Mapping Approach ◽  
Intestinal Transporters

Developments of the generative topographic mapping

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

Kernel Generative Topographic Mapping of Protein Sequences

2012 ◽  
pp. 195-208
Author(s):  
M.I. Cardenas ◽  
A. Vellido ◽  
I. Olier ◽  
X. Rovira ◽  
J. Giraldo
Keyword(s):  
Data Analysis ◽  
Kernel Method ◽  
Protein Sequences ◽  
Topographic Mapping ◽  
Complex Data ◽  
Generative Topographic Mapping ◽  
Protein Amino Acid ◽  
Genomics And Proteomics ◽  
The World ◽  
Symbolic Sequences

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.

Predictive cartography of metal binders using generative topographic mapping

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