About WODCA

What Can WODCA Do for You?

How to Start WODCA

WODCA's Main Window

WODCA's Menu Bar

• File Menu:
  How to Load a Chemical Compound into WODCA
  How to Load a Catalog of Chemical Compounds into WODCA
  How to Save a Chemical Compound in WODCA
• Export Menu
• Searches Menu
• Evaluation Menu
  Calculation of Physicochemical Properties for Atoms and Bonds
• Options Menu
• Tools Menu

• Help Menu

Information Area and Structure Display

• WODCA's Information Area

• WODCA's Structure Display

The Console

The Message Line

What is a Similarity Search?

Principle of a Similarity Search

• Scheme 1

• Scheme 2

List of Similarity Criteria

The Search Window

How to Search in a Catalog

What is a Substructure Search?

Essentials of a Substructure Search

How to Define a Substructure

• Open Sites
• Atom Lists
• Specifications for Atoms
• Specifications for Bonds
• Bond Order

• Global Specifications

How to Start a Substructure Search

Definition of a Query Structure

• The Molecule Canvas
• The SMILES Panel
• The Option Panel
• The Command Panel

• The Menu Bar

Further Specifications

• Specifications for Atoms

• Specifications for Bonds

How to Search for a Class of Compounds in a Catalog of Chemicals

What is a Strategic Bond?

Principle of a Strategic Bond Search: The Disconnection Strategies

• Aliphatic Bonds
• Aromatic Substitution
• Carbon-Heteroatom Bonds

• Polycyclic Compounds

The Strategic Bonds Window

• Strategic Bond Display
• Functional Group Interconversion (FGI)
• Protecting Groups (PG)
• List Box for Disconnection Strategies
• Modification of Precursors
• Description of the Dialog Box: WODCA - Aromatic Substitution
• Action Area
• Description of the Window Elements

• Implementation of a Strategic Bond Search

Manual Definition of Strategic Bonds

The Molecule Editor

The Match List Browser

The Synthesis Planner

Preface

Test License

About the Installation Media

Hardware and Software Requirements

Installation of the CACTVS Tools

Installation of WODCA with the JANSSEN Catalog of Chemicals

WODCA's Working Directory

Adaptation of WODCA

• .wodcarc

• profile

Support