Macs in Chemistry

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SARchitect

SARchitect is a tool for analysing structure activity relationships and ADME/T modeling.


Sarchitect has a wide range of graphical visualizations to enable visual analysis. The viewing options include: 2D/3D Chemical Structure viewer, 2D/3D Scatter Plots, Profile Plot, Heat Maps, Box-whisker Plots, Histograms, Matrix Plots, Bar Charts and Chemical Space views.
All views in Sarchitect are dynamically linked selections in one view get highlighted all other open views.
Similarly, a range of powerful algorithms enable launching algorithmic inquiry.
For feature selection:
  • Statistical Tests & Correlation
  • Forward/Backward Selection
  • GA Wrappers
For clustering:
  • K-Means
  • Hierarchical
  • SOM
  • Random Walk
Principal Component Analysis
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