Quantitative structure-activity relationship (QSAR) models were derived for 179 analogues of artemisinin, a potent antimalarial agent. Molecular descriptors derived solely from molecular structure were used to represent molecular structure. Utilizing replacement method, a subset of 11 descriptors was selected. General regression neural network (GRNN) was used to construct the nonlinear QSAR models in all stages of study. The relative standard error percent in antimalarial activity predictions for the training set by the application of cross-validation (RMSE-CV) was 0.43, and for test set (RMSE) was 0.51. GRNN analysis yielded predicted activities in the excellent agreement with the experimentally obtained values (R2training = 0.967 and R2test = 0.918). The mean absolute error for the test set was computed as 0.4115.
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http://dx.doi.org/10.1055/s-0043-108553 | DOI Listing |
Sci Rep
January 2025
Department of Computer Science and Engineering, E.G.S. Pillay Engineering College, Nagapattinam, 611002, Tamil Nadu, India.
In response to the pressing need for the detection of Monkeypox caused by the Monkeypox virus (MPXV), this study introduces the Enhanced Spatial-Awareness Capsule Network (ESACN), a Capsule Network architecture designed for the precise multi-class classification of dermatological images. Addressing the shortcomings of traditional Machine Learning and Deep Learning models, our ESACN model utilizes the dynamic routing and spatial hierarchy capabilities of CapsNets to differentiate complex patterns such as those seen in monkeypox, chickenpox, measles, and normal skin presentations. CapsNets' inherent ability to recognize and process crucial spatial relationships within images outperforms conventional CNNs, particularly in tasks that require the distinction of visually similar classes.
View Article and Find Full Text PDFSci Rep
January 2025
Shandong Provincial Public Health Clinical Center, Shandong University, Jinan, 250013, Shandong, China.
Medical image annotation is scarce and costly. Few-shot segmentation has been widely used in medical image from only a few annotated examples. However, its research on lesion segmentation for lung diseases is still limited, especially for pulmonary aspergillosis.
View Article and Find Full Text PDFJ Affect Disord
January 2025
Department of Psychology, University of Turin, Turin, Italy. Electronic address:
Dysfunctional parenting (DP) is a factor of vulnerability and a predictive risk factor for psychopathology. Although previous research has shown specific functional and structural brain alterations, the neural basis of DP remains understudied. We therefore investigated EEG functional connectivity changes within the Salience Network before and after the exposure to attachment-related stimuli in individuals with high and low perceived DP.
View Article and Find Full Text PDFJ Cardiovasc Magn Reson
January 2025
Department of Diagnostic and Interventional Radiology, University Hospital Würzburg, Würzburg, Germany.
Purpose: To investigate image quality and agreement of derived cardiac function parameters in a novel joint image reconstruction and segmentation approach based on disentangled representation learning, enabling real-time cardiac cine imaging during free-breathing.
Methods: A multi-tasking neural network architecture, incorporating disentangled representation learning, was trained using simulated examinations based on data from a public repository along with MR scans specifically acquired for model development. An exploratory feasibility study evaluated the method on undersampled real-time acquisitions using an in-house developed spiral bSSFP pulse sequence in eight healthy participants and five patients with intermittent atrial fibrillation.
Neuroimage
January 2025
Department of Computer Science, University of Innsbruck, Technikerstrasse 21a, Innsbruck, 6020, Austria. Electronic address:
The objective of this study is to assess the potential of a transformer-based deep learning approach applied to event-related brain potentials (ERPs) derived from electroencephalographic (EEG) data. Traditional methods involve averaging the EEG signal of multiple trials to extract valuable neural signals from the high noise content of EEG data. However, this averaging technique may conceal relevant information.
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