One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as ...

Springer Nature publishes chemistry book written entirely by machine Algorithm writes summary of research from 150 journal papers on lithium-ion batteries by Dalmeet Singh Chawla, special to C&EN ...

In this collection we highlight a selection of recent computational studies published in Nature Communications, featuring advances in computational chemistry methods and progress towards machine ...

Bentham Science is pleased to announce the release of Advancements in Artificial Intelligence and Machine Learning, a timely publication exploring the transformative role of AI and ML across diverse ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation.

A team of researchers have now shown that during those steps humans can smuggle in biases that infect machine learning and degrade its performance (Nature 2019, DOI: 10.1038/s41586-019-1540-5).