Lead Optimization And Beyond
Optimizing the lead series through our machine learning augmented traditional molecular
models with focus on cellular activity, DMPK properties, exposure and PD
Multiparameter optimization driven iterative design of leads- ML models for cellular potency
- Target engagement assessment
- Identification of potential off targets based on our molecular similarity engine
- Robust predictive models for CYPs and hERG
- QSAR and ML models for PK/PD based on program data availability
- Integrated model of in vitro, cellular and PK/PD leading to IVIVC understanding
- Molecular hypotheses for observed AEs and mitigation plans