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Chemist AI will invent new drugs using machine learning.


Stashed in: Awesome, Turing, Robot Jobs, Machine Learning, Artificial Intelligence, Training, Deep Learning

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A new artificial intelligence aims to create new drugs by learning what molecules already work and what may fit with existing patterns. 

The success of the project could mean new applications for the deep learning model working behind the scenes, if it’s shown to work well at identifying patterns in complex natural structures.

“It explores more intuitively, using chemical knowledge it learned, like a chemist would,” Alán Aspuru-Guzik, the Harvard chemistry professor behind the system, said in a report published Thursday. “Humans could be better chemists with this kind of software as their assistant.”

The system’s database hosts thousands of drug molecules, using deep learning to take the data it already has and work out what may fit with existing patterns. This technology, called a generative model, is currently used in autocomplete features for guessing what word may come next.

It’s the latest in a line of A.I. automating jobs without entirely replacing them. In these industries, A.I. helps professionals so they can spend more time focusing on jobs better oriented towards humans. An example of this in action is Luminance’s robot lawyer A.I., which focuses on mergers and acquisitions by checking through documents and flagging up potential clashes. Similarly, IntelligentX can help supplement the work of brewers by collating beer feedback and suggesting new recipes. Human oversight is still needed, but the workload is less.

Reddit comment:

And who wil own the patents of drugs invented by AI? Obviously those who own the AI, giving them unprecedented lead and financial profits. It is very likely to end up in a winner take it all scneario where the first company to come up with a suitable AI will singlehandedly wipe out its competitors, harvest all the low-hanging fruits of the new tech, and consequently enjoy monopoly over the patents.

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