Small-Molecule Optimization
Improving potency and reducing liabilities through iterative design.
At BioRacc
Computation in service of human health
Finding a hit is only the beginning. Small-molecule optimization at BioRacc uses structure–activity relationships, molecular modeling, and ADME-aware thinking to turn early candidates into stronger, more selective, and more durable leads.
Approaches
Methods you will see in practice
- Structure–activity relationship (SAR) exploration
- ADME and biophysical property prediction
- Selectivity and resistance-aware redesign
- Hit-to-lead collaboration with experimental partners
Related capabilities
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From target hypothesis to prioritized candidates for infectious disease.
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Turning sequence and variation data into clearer decisions for discovery.
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Models and pipelines that turn complex biomedical data into clearer decisions.
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Open to Texas Southern University students, faculty, and collaborators.