3D QSAR Model: Interpretation

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Models


The 3D QSAR Model: Interpretation Floe is a tool for interpreting kernel-PLS models.

The model interpretation floe requires a dataset of a model obtained from using the 3D QSAR Model: Builder Floe.

Output from this floe is a single dataset containing the interpretation of the kernel-PLS models inherent within the uploaded model. The interpretation is provided in terms of the active site domain, corresponding regions of high and low volume, and interactions like hydrogen bonding, negative and positive charges, and the like.

Promoted Parameters

Title in user interface (promoted name)

Model Interpreter Parameters

Probes (grid_size): Grid cell dimension in angstroms.

  • Type: decimal

  • Default: 1