The journal of physical chemistry letters
Nov 30, 2023
Accurate prediction of binding free energy changes upon mutations is vital for optimizing drugs, designing proteins, understanding genetic diseases, and cost-effective virtual screening. While machine learning methods show promise in this domain, ach...
Chemical communications (Cambridge, England)
Nov 30, 2023
Materials informatics (MI) has immense potential to accelerate the pace of innovation and new product development in biotechnology. Close collaborations between skilled physical and life scientists with data scientists are being established in pursui...
Machine learning (ML) algorithms are powerful tools to find complex patterns and biomarker signatures when conventional statistical methods fail to identify them. While the ML field made significant progress, state of the art methodologies to build e...
The democratization of machine learning is a popular and growing movement. In a world with a wealth of publicly available data, it is important that algorithms for analysis of data are accessible and usable by everyone. We present MLpronto, a system ...
We propose a supervised machine learning approach to predict partnership formation between universities. We focus on successful joint R&D projects funded by the Horizon 2020 programme in three research domains: Social Sciences and Humanities, Physica...
The liver is the primary site for the metabolism and detoxification of many compounds, including pharmaceuticals. Consequently, it is also the primary location for many adverse reactions. As the liver is not readily accessible for sampling in humans;...
OBJECTIVE: This study aims to develop high-performing Machine Learning and Deep Learning models in predicting hospital length of stay (LOS) while enhancing interpretability. We compare performance and interpretability of models trained only on struct...
The Journal of thoracic and cardiovascular surgery
Nov 29, 2023
BACKGROUND: The clinical applicability of machine learning predictions of patient outcomes following cardiac surgery remains unclear. We applied machine learning to predict patient outcomes associated with high morbidity and mortality after cardiac s...
Journal of magnetic resonance imaging : JMRI
Nov 29, 2023
BACKGROUND: Glioma grading transformed in World Health Organization (WHO) 2021 CNS tumor classification, integrating molecular markers. However, the impact of this change on radiomics-based machine learning (ML) classifiers remains unexplored.
Neurosurgery clinics of North America
Nov 29, 2023
The amount and quality of data being used in our everyday lives continue to advance in an unprecedented pace. This digital revolution has permeated healthcare, specifically spine surgery, allowing for very advanced and complex computational analytics...
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