1. Data Science assisted Drug Discovery
Molecular
Initiating
Events
Biomolecular Organelle Cell Tissue Organ Organism Population
Preclinical Dev – linear transition of evidence Clinical Dev
Number of Compounds
1s
Candidate selection
Wealth of data integration, fusion and processing
(Information Theory)
Biological Complexity
Enabling Insight by
- Machine learning
- Statistics
- Signal Processing
- Multi-Parametric Analysis
- Other concepts 1
Outcome
in-silico
Data generation
Let the data speak for itself
• Learn models form the data
• Identify data glitches as
violations of the learned models
• Repair data glitches and models
in a timely manner
• Learn rules and patterns from
the data
• Access external data sources to
build proprietary and/or public
curated big data
Outcome: Probability of specific
combinations of compounds
regulating disease state to a
specific state