Structure-Activity Modeling of Endocrine Disruptors

2016 ◽  
pp. 189-202
Keyword(s):  
Endocrine Disruptors ◽  
Structure Activity ◽  
Activity Modeling

scholarly journals Target and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure Activity Modeling

2017 ◽  
Vol 20 (1) ◽  
Author(s):  
Anna H. C. Vlot ◽  
Wilhelmus E. A. de Witte ◽  
Meindert Danhof ◽  
Piet H. van der Graaf ◽  
Gerard J. P. van Westen ◽  
...  
Keyword(s):  
Quantitative Structure ◽  
Structure Activity ◽  
Activity Modeling ◽  
Tissue Selectivity ◽  
Target Binding

Multi-instance Learning for Structure-Activity Modeling for Molecular Properties

2020 ◽  
pp. 62-71
Author(s):  
Dmitry V. Zankov ◽  
Maxim D. Shevelev ◽  
Alexandra V. Nikonenko ◽  
Pavel G. Polishchuk ◽  
Asima I. Rakhimbekova ◽  
...  
Keyword(s):  
Molecular Properties ◽  
Structure Activity ◽  
Activity Modeling

Understanding PPAR-δ affinity and selectivity using hologram quantitative structure–activity modeling, molecular docking and GRID calculations

2016 ◽  
Vol 8 (16) ◽  
pp. 1913-1926
Author(s):  
Vinicius G Maltarollo ◽  
Sheila C Araujo ◽  
Gustavo H G Trossini ◽  
Kathia M Honorio
Keyword(s):  
Molecular Docking ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Activity Modeling

Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison

2012 ◽  
Vol 31 (3-4) ◽  
pp. 301-312 ◽  
Author(s):  
N. Kireeva ◽  
I. I. Baskin ◽  
H. A. Gaspar ◽  
D. Horvath ◽  
G. Marcou ◽  
...  
Keyword(s):  
Data Visualization ◽  
Topographic Mapping ◽  
Generative Topographic Mapping ◽  
Structure Activity ◽  
Activity Modeling

scholarly journals Transductive Ridge Regression in Structure-activity Modeling

2017 ◽  
Vol 37 (1-2) ◽  
pp. 1700112 ◽  
Author(s):  
Gilles Marcou ◽  
Grace Delouis ◽  
Olena Mokshyna ◽  
Dragos Horvath ◽  
Nicolas Lachiche ◽  
...  
Keyword(s):  
Ridge Regression ◽  
Structure Activity ◽  
Activity Modeling
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