Six popular machine learning models. (a) Decision tree; (b) feedforward neural network (Trans: transformation; Activ Func: activation functions); (c) convolution neural network (Conv: convolution; ...

The key idea behind our framework is that life produces molecules with purpose, while nonliving chemistry does not. Cells ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

A machine-learning tool can easily spot when chemistry papers are written using the chatbot ChatGPT, according to a scientific study. The study in Cell Reports Physical Science said that a specialised ...

Jessica Lin and Zhenqi (Pete) Shi from Genentech describe a novel machine learning approach to predicting retention times for ...

Avicenna Biosciences Inc. has introduced an extension to its machine learning (ML) technology platform to enhance medicinal chemistry and expedite clinical-stage drug discovery.

There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

When an ecological disaster releases toxins into the environment, extensive sampling and analysis is vital to ensure the health and safety of the people affected. Surface-enhanced vibrational ...

PhD graduates in analytical sciences can leverage transferable skills for careers in regulation, publishing, and startups, beyond traditional academia and R&D. Women in chromatography emphasize the ...