2. Computer Aided Drug Design
(CADD) is a technology that allows
for the computer simulation of what
medications could be effective for
the treatment of rare diseases.
3. Predictive Analytics allows for
computer simulations of how a rare
disease could spread as well as its
likelihood to occur in a specific
community.
4. A key part of CADD is Molecular
Docking.
Molecular Docking allows for the
computer simulation of how a medicinal
chemical would interact with a virus or
another molecule.
5. This is a brief proposal for an
online course.
The course will allow students
to understand predictive
analytics and its applications
to monitoring and predicting
rare disease occurances by
means of data analytics as a
stepping stone.
6. Analogies between Molecular Docking and Data Analytics:
Place-and-Join algorithm………..….Join and Merge for the data preparation
∆G- Net Binding Free Energy…..∆Value from reference value to category value
Molecular Docking Data Analytics