Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00239
Abstract: An automated and broadly applicable workflow for the description of solvation effects in an explicit manner is introduced. This method, termed quantum cluster growth (QCG), is based on the semiempirical GFN2-xTB/GFN-FF methods, enabling efficient geometry… read more here.
Keywords: force field; cluster; solvation; automated molecular ... See more keywords
Automated Molecular Subtyping of Breast Carcinoma Using Deep Learning Techniques
Sign Up to like & getrecommendations! Published in 2023 at "IEEE Journal of Translational Engineering in Health and Medicine"
DOI: 10.1109/jtehm.2023.3241613
Abstract: Objective: Molecular subtyping is an important procedure for prognosis and targeted therapy of breast carcinoma, the most common type of malignancy affecting women. Immunohistochemistry (IHC) analysis is the widely accepted method for molecular subtyping. It… read more here.
Keywords: automated molecular; breast; breast carcinoma; deep learning ... See more keywords