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10.1021/acs.jpclett.5c03041 http://scihub22266oqcxt.onion/10.1021/acs.jpclett.5c03041 41319335!?!41319335 Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=41319335&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215       J+Phys+Chem+Lett 2025 ; ? (?): 12579-12588 Nephropedia Template TP {{tp|p=41319335|t=2025. Machine Learning Accelerates Discovery of High-Performance Corrole Photosensitizers for Optical Imaging Diagnosis and Photodynamic Therapeutics of Nasopharyngeal Carcinoma |pdf=|usr=}}{{41319335}} gab.com Text Machine Learning Accelerates Discovery of High-Performance Corrole Photosensitizers for Optical Imaging Diagnosis and Photodynamic Therapeutics of Nasopharyngeal Carcinoma JO: J Phys Chem Lett http://www.kidney.de/pget.php?&tw=1&pmid=41319335 #FOAvip This study centers on corrole, an emerging photosensitizer with great application potential, and innovatively develops an intelligent machine learning-based screening strategy. Through integrating molecular descriptor generation, feature engineering, multiple predictive models, and SHapley Additive exPlanations (SHAP)-based feature analysis, we have predicted two key performances of corrole photosensitizers, involving absorption peak wavelength and singlet-triplet intersystem crossing rate (k(ISC)). Among 10 tested models, XGBoost outperforms other models. After introducing descriptors such as electronic structure and excited-state characteristics and conducting dimensionality reduction, its coefficient of determination is up to 0.87 for k(ISC) prediction. SHAP analysis clarifies core design principles such as flat molecular structure, HOMO localization/LUMO delocalization and low surface electrostatic potential. The screened corrole with peripheral pyridyls, central nonmetallic P, and hydroxyls has excellent red light/NIR optical performance. Upon light irradiations, it exhibits a robust capacity for generating reactive oxygen species and enables the complete inactivation of cancer cells in vitro and in vivo. By leveraging fluorescence lifetime imaging, this corrole enables effective discrimination between normal cells and cancer cells. The intelligent screening strategy offers a novel paradigm for the efficient development of high-performance photosensitizers with distinct clinical translation potential. Twit Text FOAVip Machine Learning Accelerates Discovery of High-Performance Corrole Photosensitizers for Optical Imaging Diagnosis and Photodynamic Therapeutics of Nasopharyngeal Carcinoma ????J Phys Chem Lett http://www.kidney.de/pget.php?&tw=1&pmid=41319335 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=41319335 #FOAvip English Wikipedia <ref>{{Cite pmid|41319335}}</ref> Machine Learning Accelerates Discovery of High-Performance Corrole Photosensitizers for Optical Imaging Diagnosis and Photodynamic Therapeutics of Nasopharyngeal Carcinoma #MMPMID41319335 Huang K; Yang Y; Huang H; Tang Y; Han W; Huang J; An Y; Yin J J Phys Chem Lett 2025[Nov]; ? (?): 12579-12588 PMID41319335show ga This study centers on corrole, an emerging photosensitizer with great application potential, and innovatively develops an intelligent machine learning-based screening strategy. Through integrating molecular descriptor generation, feature engineering, multiple predictive models, and SHapley Additive exPlanations (SHAP)-based feature analysis, we have predicted two key performances of corrole photosensitizers, involving absorption peak wavelength and singlet-triplet intersystem crossing rate (k(ISC)). Among 10 tested models, XGBoost outperforms other models. After introducing descriptors such as electronic structure and excited-state characteristics and conducting dimensionality reduction, its coefficient of determination is up to 0.87 for k(ISC) prediction. SHAP analysis clarifies core design principles such as flat molecular structure, HOMO localization/LUMO delocalization and low surface electrostatic potential. The screened corrole with peripheral pyridyls, central nonmetallic P, and hydroxyls has excellent red light/NIR optical performance. Upon light irradiations, it exhibits a robust capacity for generating reactive oxygen species and enables the complete inactivation of cancer cells in vitro and in vivo. By leveraging fluorescence lifetime imaging, this corrole enables effective discrimination between normal cells and cancer cells. The intelligent screening strategy offers a novel paradigm for the efficient development of high-performance photosensitizers with distinct clinical translation potential. ?Machine Learning Accelerates Discovery of High-Performance Corrole Ph(epmc).pdf DeepDyve Pubget Overpricing