model

Machine learning model helps characterize compounds for drug discovery

WEST LAFAYETTE, Ind. – Tandem mass spectrometry is a powerful analytical tool used to characterize complex mixtures in drug discovery and other fields.

Now, Purdue University innovators have created a new method of applying machine learning concepts to the tandem mass spectrometry process to improve the flow of information in the development of new drugs. Their work is published in Chemical Science.

“Mass spectrometry plays an integral role in drug discovery and development,” said Gaurav Chopra, an assistant professor of analytical and physical chemistry in Purdue’s College of Science. “The specific implementation of bootstrapped machine learning with a small amount of positive and negative training data presented here will pave the way for becoming mainstream in day-to-day activities of automating characterization of compounds by chemists.”

Chopra said there are two major problems in the field of machine learning used for chemical sciences. Methods used do not provide chemical understanding

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women

Three Black Women Entrepreneurs’ Wine Company Highlighted On Discovery Channel As They Vie For $100,000 In Seed Money

A kitchen table discussion spurred three women to found their own wine company, and now, the three of them are vying for the final prize of $100,000 seed money on the I Quit show on Discovery Channel this Saturday.

Esrever Wines was founded in 2011 by friends Jasmine Dunn, Tyshemia Ladson, and Ashanti Middleton, and they produced and bottled their first wine in 2018. “Esrever was started at Jasmine’s mother Cheryl’s kitchen table,” says Ladson. “Her home was our refuge from the world ever since we were in elementary school, and her kitchen table became our boardroom.”

One evening, the three friends were gathered around the table discussing the joys and pains of life. “We all share a love for

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