BACKGROUND: Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs), have started a new era of innovation across various fields, with medicine at the forefront of this technological revolution. Many studies i...
Physical chemistry chemical physics : PCCP
30775759
We establish a comprehensive quantitative structure-activity relationship (QSAR) model termed AlphaQ through the machine learning algorithm to associate the fully quantum mechanical molecular descriptors with various biochemical and pharmacological p...
AlphaFold2 is an Artificial Intelligence-based program developed to predict the 3D structure of proteins given only their amino acid sequence at atomic resolution. Due to the accuracy and efficiency at which AlphaFold2 can generate 3D structure predi...
Artificial intelligence (AI) has become a powerful tool in biochemistry, greatly enhancing research capabilities by enabling the analysis of complex datasets, predicting molecular interactions, and accelerating drug discovery. As AI continues to evol...
Machine learning (ML) is rapidly gaining traction in many areas of experimental molecular science for elucidating relationships and patterns in large or complex data sets. Historically, ML was largely the preserve of those with specialized training i...