- 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

Artificial intelligence methods can support drug discovery by helping researchers identify and evaluate candidate bioactive molecules, including through molecular design, virtual screening, and prediction of molecular properties and toxicity.

University of Illinois at Urbana-Champaign

Google

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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