Machine learning is transforming many scientific fields, including computational materials science. For about two decades, ...
Machine learning is a powerful tool in computational biology, enabling the analysis of a wide range of biomedical data such as genomic sequences and biological imaging. But when researchers use ...
A research team from the Songshan Lake Materials Laboratory has developed an AI-guided "Recommendation System" to discover ...
This certificate program is not currently admitting new students. The Graduate Certificate in Computational Artificial Intelligence & Machine Learning provides a strong foundation in this emerging ...
When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...
Individual prediction uncertainty is a key aspect of clinical prediction model performance; however, standard performance metrics do not capture it. Consequently, a model might offer sufficient ...
The convergence of genomics, systems biology, and artificial intelligence is transforming the landscape of drug discovery. Modern genomic technologies now ...
Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
An AI-driven computational toolkit, Gcoupler, integrates ligand design, statistical modeling, and graph neural networks to predict endogenous metabolites that allosterically modulate the GPCR–Gα ...
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