PURPOSE: There are no previous studies developing machine learning algorithms in the classification of lumbar sympathetic blocks (LSBs) performance using infrared thermography data. The objective was to assess the performance of different machine lea...
Current opinion in structural biology
Feb 17, 2023
Recent years have seen a sharp increase in the development of deep learning and artificial intelligence-based molecular informatics. There has been a growing interest in applying deep learning to several subfields, including the digital transformatio...
Journal of computer-aided molecular design
Feb 17, 2023
Aqueous solubility is the most important physicochemical property for agrochemical and drug candidates and a prerequisite for uptake, distribution, transport, and finally the bioavailability in living species. We here present the first-ever direct ma...
Current opinion in structural biology
Feb 16, 2023
Federated Learning enables machine learning across multiple sources of data and alleviates the risk of leaking private information between partners thereby encouraging knowledge sharing and collaborative modelling. Hence, Federated Learning opens the...
The combination of machine learning and infrared spectroscopy was reported as effective for fast characterization of biomass and waste (BW). However, this characterization process is lack of interpretability towards its chemical insights, leading to ...
The journal of physical chemistry letters
Feb 16, 2023
Predicting protein-ligand binding affinities (PLAs) is a core problem in drug discovery. Recent advances have shown great potential in applying machine learning (ML) for PLA prediction. However, most of them omit the 3D structures of complexes and ph...
Machine learning (ML) is becoming an integral aspect of several domains in medicine. Yet, most pathologists and laboratory professionals remain unfamiliar with such tools and are unprepared for their inevitable integration. To bridge this knowledge g...
PURPOSE OR OBJECTIVE: Chemical and physical stabilities are two key features considered in pharmaceutical development. Chemical stability is typically reported as a combination of potency and degradation product. Moreover, fluorescent reporter Thiofl...
International journal of environmental research and public health
Feb 16, 2023
It is of great interest to develop and introduce new techniques to automatically and efficiently analyze the enormous amount of data generated in today's hospitals, using state-of-the-art artificial intelligence methods. Patients readmitted to the IC...
Artificial intelligence (AI), a branch of machine learning (ML) has been increasingly employed in the research of trauma in various aspects. Hemorrhage is the most common cause of trauma-related death. To better elucidate the current role of AI and c...
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