Artificial Intelligence Medical Compendium

Deep learning has transformed protein structure prediction, yet most state-of-the-art models remain challenging for experimental scientists to access. To address this, we present PymolFold, an open-source PyMOL plugin that seamlessly integrates cutti... read more 

BACKGROUND: Leukocytoclastic vasculitis (LCV) and microvascular occlusion (MVO) are distinct histopathologic patterns underlying dermatologic diagnoses of purpura. This study explores the potential of attention-based artificial intelligence (AI) mode... read more 

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DNA-encoded chemical libraries (DELs) enable the highly efficient screening of billions of small molecules for binding to a target of interest and provide valuable training data for machine learning models for virtual screening. However, DEL screenin... read more 

Protein function prediction has advanced substantially with the integration of AlphaFold2 structural information, yet current models remain constrained by incomplete multimodal feature fusion and limited attention mechanisms for capturing structural-... read more 

Complex reactions occurring at the electrode/electrolyte interface in Li metal batteries lead to the formation of a solid-electrolyte interphase (SEI), which plays a vital role in stabilizing batteries' performance. An in-depth understanding of the S... read more 

Deep learning has made significant progress in drug discovery. However, most existing models are single-task and single-modality, which not only limits their representational capacity but also tends to overlook critical factors in central nervous sys... read more 

Macrocyclic peptides have gained attention as promising drug candidates due to their unique therapeutic properties. Advances in artificial intelligence have demonstrated the potential to facilitate the discovery and optimization of macrocyclic peptid... read more 

Industrial chemicals are characterized by their substantial production volumes, widespread applications, fugitive release into the environment, and the general lack of full awareness regarding their risks, carrying global unintended adverse effects o... read more 

The utility of aryl boronic acids, esters, and their congeners has led to the development of methods spanning from early synthesis strategies via deprotonations and metal/halogen exchange protocols to sophisticated and well-studied Pd-catalyzed Miyau... read more