TS‐tools: Rapid and automated localization of transition states based on a textual reaction SMILES input
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DOI: 10.1002/jcc.27374
Abstract: Here, TS‐tools is presented, a Python package facilitating the automated localization of transition states (TS) based on a textual reaction SMILES input. TS searches can either be performed at xTB or DFT level of theory,… read more here.
Keywords: reaction; automated localization; states based; transition states ... See more keywords
Automated Localization of Myocardial Infarction From Vectorcardiographic via Tensor Decomposition
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Biomedical Engineering"
DOI: 10.1109/tbme.2022.3202962
Abstract: Objective: Myocardial infarction (MI) causes rapid and permanent damage to the heart muscle. Therefore, it can deteriorate the myocardial structure and function if not timely diagnosed and treated. However, it is difficult to determine the… read more here.
Keywords: localization; tensor; automated localization; myocardial infarction ... See more keywords