Artificial intelligence accelerates the pharmaceutical industry
Thanks to the development of the ShiftML model it is possible to carry on many procedures faster than with traditional methods
The pharmaceutical industry could experience a revolution in the way of production thanks to technological advances. Recently, a group of scientists from the Federal Polytechnic School of Lausanne (EPFL) created a machine learning program to predict the dynamics of atoms when applying the magnetic field.
The model is called ShiftML and is based on Artificial Intelligence (AI). Michelle Ceriotti, author of the EPLF research, said: “Even for simple molecules, this model is up to 10,000 times faster than existing methods, and the advantage increases when we treat more complex compounds.”
Among the methods used to predict the structure of materials is Nuclear Magnetic Resonance, transferred from the field of Medicine. However, this must be complemented with other more precise techniques, such as the Functional Theory of Density.
The ShiftML model applies both theories to its calculations and understands how those atoms are structured. The information is taken from a database with more than 2,000 structures with a higher processing speed than the traditional one. In fact, the system takes less than a minute for processes that would take between 62 and 160 CPU hours.
On the additional benefits of AI, the computer chemist Merk Robert P. Sheridan, said: “The pharmaceutical industry is very hopeful for these technologies because they allow the development of really complex drugs and our customers are always looking for new ways to succeed faster”.
M.Pino
Source: Xataka.com
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M.Pino
Fuente: Xataka.com
