Molecular models serve as indispensable tools in chemical education, enabling both students and researchers to visualise and comprehend the intricate three‐dimensional structures of molecules. Recent ...
Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...
Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...
Juan Casado Cordón, Professor of Physical Chemistry at the University of Malaga, considers graphene—an infinite layer of carbon atoms—as one of the greatest discoveries of the last 20 years due to its ...
A new machine learning model, NeCLAS, can determine whether and how a protein and nanoparticle will bind, which could revolutionize drug discovery and design processes. Researchers at the University ...
In recent years, machine learning models have become increasingly popular for risk assessment of chemical compounds. However, they are often considered 'black boxes' due to their lack of transparency, ...
Molecular lesion data in LR-MDS prognostic models reduce the significance of traditional parameters like bone marrow blast percentage. Molecular data altered risk stratification for 30% of patients, ...
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