Quantum-chemical calculation of substances according to their biological activity
Task:
It was necessary to reduce the time spent on the search for substances that could become potential drugs.
Solution:
That were held a quantum-chemical calculations of biological activity about specific targets (proteins) for a potential base formation of chemical compounds that can become the base of medicines producing.
Project type:
Project status:
Ready
Languages:
EN
Thematics:
Science, Manufacture
Technologies:
Link to website:
Pharmaceutical company
Since an initial database were several million structures, respectively, we used the mechanisms of working with Big Data and optimization of productivity during calculation procedures.
