ICM User's Guide: Build Prediction Model

Feb 13 2026 Feedback.

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Contents


Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Read
Save
Chemical Spreadsheets
Editor
Chemical Search
2D Interaction Diagram
Convert to 3D
Fragments
Find Bioisostere
Molcart
Calculate Properties
Standardize Table
Annotate
Align/Color by 2D Scaffold
Formal Charges
Torsion Analysis
Torsion Free Strain
Enumerate Formal Charge States
Protonation vs pH
Convert
Build Prediction Model
Predict
Generate 3D Conformers
Generate Tautomers
Generate Stereoisomers
Prodrug
Ligand Energetics
Cluster Set
PCA Analysis
Visualize Chemical Space
Compare Two Sets
Merge Two Sets
Select Duplicates
MPO
Combinatorial Chemistry
SAR Analysis
Chemical Superposition
APF Tools
Learn and Predict
Docking
Virtual Screening
Molecular Dynamics
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs

Index

ICM User's Guide
10.21 Build Prediction Model

Available in the following product(s): ICM-Chemist-Pro | ICM-VLS

Structure-Activity Relationship (SAR) is a process by which the activity of a molecule is related to its molecular structure. If a significant ammount of structural and activity data is available a model can be made which can be used to predict the activity of a molecule or series of molecules.

In ICM SAR is undertaken using the Learn and Predict tools in a Molecular Table.

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