CADD can be used in the following areas of drug design:

- Molecular Modeling 
- Binding Free Energy Estimation Software 
- Binding Site Prediction Software
- Homology Modeling
- QSAR Software
- ADME Toxicity Software
- Ligand Design Software 
- Draw Tools
- Databases
- Docking Software
- Screening Software
- Target Prediction Software

CADD Concepts

CADD represents the computational models, methods, resources, and softwares available to aid the drug design and development process.

University of Illinois at Urbana-Champaign

The iterative process of designing and refining a drug candidate after identifying a chemical lead. The purpose is to keep favorable properties in lead compounds while filtering out or improving upon unfavorable ones.

4: Drug Design (Lead Optimization)

Abdel-ghany S. Computer aided drug design(CADD). Slideshare.net. https://www.slideshare.net/samghany/computer-aided-drug-designcadd. Published 2017. 

Computer Aided Drug Design Slideshare

The following are evaluated properties when optimizing a lead in drug design:

- Binding mechanisms
- Pharmacodynamic (interaction with lead target)
- Pharmacokinetic (ability to reach and bind to target)
- Potency 
- Safety
- Selectivity (particular population vs. another)
- Specificity (action in population)
- Stability
- Toxicological


Drug Design Properties

Drug design that depends on the information of the biological target's 3D structure.

Direct Drug Design (Structure-Based)

Drug design based on the ligand information instead of the biological target itself. Ligand here refers to other molecules that bind to the target.

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