To overcome these challenges, we propose a structure-awareness-based multi-modal self-supervised molecular representation pre-training framework (MMSA) designed to enhance molecular graph ...

A team of researchers at the University of California, Davis, made small tweaks to the molecular structure of lysergic acid diethylamide (LSD) to see if it could be turned into an effective brain ...

In addition, practical benchmark tasks in molecular modeling, such as ligand binding energy and structure reoptimization, are defined and models are evaluated based on these. The construction of ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of ...

has developed the Electronic Structure-Infused Network (ESIN), a novel deep learning model that integrates molecular geometry and electronic structure data. This work is published in Light ...

Researchers led by Prof. Dr. Hauke Hillen, head of the "Structure and Function of Molecular Machines" research group at the Department of Cellular Biochemistry at the University Medical Center ...

Understanding its Lewis structure, molecular geometry, hybridisation, and polarity helps in knowing its behaviour and interactions. Who gave the Lewis Structure? Lewis structures were introduced ...

Carbon dioxide (CO2) is a colorless gas vital to life on Earth, yet its molecular geometry profoundly influences its behavior and physical properties. CO2's linear shape, with a carbon atom double ...

Barely five months after joining The Washington Post as publisher and CEO, William Lewis recently began discussing ... the role he saw for her in the new structure — and the two agreed she ...

The effects of bullying can include worsening mental and physical health, changes in brain functioning, low self-esteem, and a decline in academic and work performance. Bullying can affect all ...