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Schrodinger is actually in the space of using quantum chemistry simulations (and molecular simulations) to prepare targets - new molecules for pharma companies
by ViralBShah 6y ago
Schrodinger is actually in the space of using quantum chemistry simulations (and molecular simulations) to prepare targets - new molecules for pharma companies as the basis of new drugs.
Pumas is at the other end - modelling and simulation tool that simulates the pharmacokinetics and pharmacodynamics - effects of a drug on the body and the body on the drug. It is relevant during clinical trials, for dosing and for final submission to the regulator.
There is a lot of complexity in drug dosing, but it is possible to eventually bring the modelling tools to the patient's bedside and personalize the dose to have effective treatment. There are also lots of possibilities for new treatments by mining old trials, and by learning new therapies from old trial datasets - what the FDA now calls Real World Evidence.
While I am a co-founder of Julia Computing, we are the technology partners for Pumas.ai, and Pumas is one of the most complex and largest Julia applications to date leveraging a large part of the Julia ecosystem.