Jan 18 2018 Feedback.
Contents
 
Introduction
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
MolScreen
 Model Types
 Brief Panel
 Full Model Panel
 Custom Model Panel
 Results Table
 Make Classification Model
 Make APF/SAR Model
 Predict Metabolic Oxidation
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
13.2 Brief Panel
Next

To use the Brief Model Panel:

  • Read in a set of chemicals you wish to screen against the MolScreen panel (e.g File/Open sdf).
  • Select Chemistry/MolScreen/Brief Model Panel
  • Select the model type you would like to screen from the tab menu.
  • Use the dropdown button to locate the chemical table you wish to screen
  • Use the check boxes to select the targets you would like to screen or choose select all.
  • There are some options which can be selected: Color will color the table by a rainbow scaled to the value range in the table. LookupOnly will search your chemicals to see if they are contained in the training and test set. deleteEmptyCols will clean up your results table by removing columns that do not have data. PairwiseTable will generate a model and target pairwise table.
  • The results will be displayed in a separate table.


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