- peptide synthesis and small molecule design
- identification of drug dosage 
- prediction of bioactive agents
- protein–protein interactions
- identification of protein folding and misfolding
- structure and ligand-based VS
- QSAR modeling
- prediction of physiochemical 
- prediction of drug toxicity

Application of AI in Drug Discovery

Drug Discovery is a highly time consuming and costly process. The most difficult part of the drug discovery process is finding suitable bioactive drug molecules. These difficulties can be alleviated with AI-based tools and techniques. 

University of Illinois at Urbana-Champaign

The initial step of laboratory research for a new drug.

1: Drug Discovery and Development

- 1: Target Identification
- 2: Target Validation
- 3: Lead Identification
- 4: Lead Optimization 
- 5: Product Characterization
- 6: Formulation and Development

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