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Using machine learning techniques, scientists select the most promising virtual chemical structures from thousands of molecules, then obtain or synthesize them, and then test 5 molecules that are promising future drug competitors in test tubes
Yellow fever is a deadly disease in the overpopulated tropical regions of Africa and South America
An international team of scientists uses artificial intelligence to select from a large number of molecules that may be suitable for this purpose
"Our team uses a predictive computer model that combines several machine learning methods
Normally, out of 5,000 molecules that pass the experimental test, only one has a chance to reach the pharmacy counter
In order to make the first phase of the experiment cheaper and faster, scientists used computer simulations and tried to convert some initial tests into virtual tests
The author of this paper has created a self-learning computer model that compares compounds based on specific structural rules
"The molecule we selected is related to a derivative of pyrazole sulfonamide
DOI
10.
