Lead Optimization And Beyond

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

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  • 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

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