Sep 17 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
Display Tab
Light Tab
Labels Tab
PDB Search Tab
Meshes Tab
View Menu
Selections
Tables
Local DB
Sequences
Bioinfo Menu
Tools Menu - Xray
Tools Menu - 3D Predict
Tools Menu - Analysis
Tools Menu - Superimpose
Homology and Modelling
Working with Chemistry Tools
Chemsitry Menu
 Calculate Properties
 Standardize Table
 Build Prediction Model
 Predict
 Convert Smiles to 2D
 Convert Structure to Smiles
 2D Depiction
 Convert to 3D
 Generate 3D Conformers
 Generate Tautomers
 Convert to Racemic
 Generate Stereoisomers
 Align/Color by 2D Scaffold
 Cluster Set
 Compare Two Sets
 Merge Two Sets
 Sort Table
 Select Duplicates
 Enumerate by Markush
 R-Group Decomposition
 Enumerate by Reaction
 Superposition
 Chemical Search
 Pharmacophore Search
 Find & Replace
 Fragments
 Molcart
Docking
Ligand Editor
Animations, Slides, & Documents
ActiveICM
Movie Making
iSee Wizard
Frequently Asked Questions
Tutorial - Graphical Display
Molecular Document
Tutorial - Working with PDB Protein Structures
Tutorial - Working with Sequence Alignments
Tutorial - Ligand Binding Pocket Analysis
Tutorial - Homology and Modeling Tools
Tutorial - Crystallographic Analysis Tools
Tutorial - Working with Chemical Tables
Tutorial - Working with the Molecular Editor
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
PrevICM User's Guide
22.4 Predict		Next

To make a prediction using a model.

Read the table of data into ICM from which you wish to predict. Make sure the table contains the same columns used for the learn model.

  • Tools/Table/Predict
  • Select which table you wish to make the prediction on.
  • Select which model you wish to use.
  • Check that the required columns are in the table. If they are absent a red mark will appear against the column that is missing.
  • Click Predict.

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Build Prediction Model		Home
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Convert Smiles to 2D

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