One specific hurdle in chemical machine learning is translating molecular structures into a numerical language that computers can understand. ChemXploreML automates this complex process with powerful, ...

One specific hurdle in chemical machine learning is translating molecular structures into a numerical language that computers can understand.

However, intriguingly, many of the most important proteins involved in gene regulation lack stable structure. Exactly how these disorganized molecules give rise to precise gene expression has become a ...

The MIT model predicts molecular binding affinity at newfound speed and accuracy, offering a powerful tool for commercial drug discovery.

Electric vehicles leave behind mountains of dead lithium-ion batteries. A new “injection” brings them back to life ...

Researchers made small tweaks to the molecular structure of LSD to see if it could be turned into an effective brain-healing treatment.

A visual overview of OMol25, including chemical scope, sampling strategies used to construct structures, chemical phenomena we seek to capture, properties available for each datapoint, and ...

In 2018, over 350,000 excess heart disease deaths were linked to phthalates. More research is needed to fully understand the chemicals' effects.

High-resolution cryoEM structures of the intron in different liganded states not only reveal molecular interactions that rationalize experimental structure–activity relationship but also shed light on ...

Consequently, food molecules often provide chemical scaffolds that are optimized for protein binding 49 but also have a broad range of structures and features.

The center piece of the session is a new chemical structure drawing game, named CHEMmunicate, which is designed to be fun and interactive, while also helping to build students’ scientific ...

A new study led by researchers at the Earth-Life Science Institute (ELSI) at Institute of Science Tokyo has uncovered a surprising role for calcium in shaping life's earliest molecular structures.