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Article
Open AccessDBPP-Predictor: a novel strategy for prediction of chemical drug-likeness based on property profiles
Evaluation of chemical drug-likeness is essential for the discovery of high-quality drug candidates while avoiding unwarranted biological and clinical trial costs. A high-quality drug candidate should have pro...
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Article
Open AccessA seed expansion-based method to identify essential proteins by integrating protein–protein interaction sub-networks and multiple biological characteristics
The identification of essential proteins is of great significance in biology and pathology. However, protein–protein interaction (PPI) data obtained through high-throughput technology include a high number of ...
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Article
Machine learning methods for predicting the key metabolic parameters of Halomonas elongata DSM 2581 T
Ectoine is generally produced by the fermentation process of Halomonas elongata DSM 2581 T, which is one of the primary industrial ectoine production techniques. To effectively monitor and control the fermentatio...
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Article
Open AccessDifferential subgenome expression underlies biomass accumulation in allotetraploid Pennisetum giganteum
Pennisetum giganteum (AABB, 2n = 4x = 28) is a C4 plant in the genus Pennisetum with origin in Africa but currently also grown in Asia and America. It is a crucial forage and potential energy grass with significa...
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Article
Multi-label feature selection via redundancy of the selected feature set
Due to the growing number of high-dimensional multi-label data which emerge in modern applications, multi-label feature selection becomes an important issue. Traditional multi-label feature selection algorithm...
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Article
SEN-FCB: an unsupervised twinning neural network for image registration
Medical image registration is a fundamental and vital task in medical image analysis. Deformable medical image registration generates a dense nonlinear transformation from the moving image to the fixed image. ...
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Article
Open AccessChemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
Chemical mutagenicity is a serious issue that needs to be addressed in early drug discovery. Over a long period of time, medicinal chemists have manually summarized a series of empirical rules for the optimiza...
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Article
Open AccessIsolation, bioassay and 3D-QSAR analysis of 8-isopentenyl flavonoids from Epimedium sagittatum maxim. as PDE5A inhibitors
As known, inhibition of phosphodiesterase 5 (PDE5) has the therapeutic effect on male erectile dysfunction (ED), and the processed folium of Epimedium sagittatum Maxim. (PFES) characterized by 8-isopentenyl flavo...
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Article
TD-Net:unsupervised medical image registration network based on Transformer and CNN
Medical image registration is a fundamental task in computer-aided medical diagnosis. Recently, researchers have begun to use deep learning methods based on convolutional neural networks (CNN) for registration...
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Article
Green synthesis and luminescent properties of seven coordination K3ZrF7:Mn4+ red phosphor for warm WLEDs
The seven-coordinated K3ZrF7:Mn4+ red phosphor was synthesized by green route. The structure, composition and morphology were characterized by X-ray diffraction, energy-dispersive X-ray spectrometer and scanning ...
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Article
Open AccessIn silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network
UDP-glucuronosyltransferases (UGTs) have gained increasing attention as they play important roles in the phase II metabolism of drugs. Due to the time-consuming process and high cost of experimental approaches...
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Article
Investigation of the mechanism of Shen Qi Wan prescription in the treatment of T2DM via network pharmacology and molecular docking
Shen Qi Wan (SQW) prescription has been used to treat type 2 diabetes mellitus (T2DM) for thousands of years, but its pharmacological mechanism is still unclear. The network pharmacology method was used to rev...
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Article
Peculiar Sandwich-Typed Composite Membrane Endowed with Concurrent Tunable Electrically Conductive Anisotropism, Tailored Superparamagnetism, and Improved Green Luminescence
The peculiar sandwich-typed composite membrane endowed with electrically conductive anisotropism, superparamagnetism and green luminescence is constructed via electrospun technology. The first layer is composed o...
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Article
Open AccessA multitask GNN-based interpretable model for discovery of selective JAK inhibitors
The Janus kinase (JAK) family plays a pivotal role in most cytokine-mediated inflammatory and autoimmune responses via JAK/STAT signaling, and administration of JAK inhibitors is a promising therapeutic strate...
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Article
Conjugative electrospinning towards Janus-type nanofibers array membrane concurrently displaying dual-functionality of improved red luminescence and tuneable superparamagnetism
A [Eu(BA)3phen/polyvinyl pyrrolidone (PVP)]//[Fe3O4/PVP] Janus-type nanofibers array membrane (JNAM) concurrently displaying dual-functionality of improved red luminescence and tuneable superparamagnetism is succ...
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Article
Open AccessStudy on the diversity of epiphytic bacteria on corn and alfalfa using Illumina MiSeq/NovaSeq high-throughput sequencing system
To investigate the diversity of the epiphytic bacteria on corn (Zea mays) and alfalfa (Medicago sativa) collected in Hengshui City and **ngtai City, Hebei Province, China, and explore crops suitable for natural s...
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Article
Open AccessInsights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches
The traditional Chinese medicine Huangqi decoction (HQD) consists of Radix Astragali and Radix Glycyrrhizae in a ratio of 6: 1, which has been used for the treatment of liver fibrosis. In this study, we tried to ...
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Article
Magnetic Ganoderma Lucidum Spores (mGLS): A Novel Regulatable Targeted Drug Delivery System
In the past decades, many materials have been studied as carriers for targeted drug delivery. However, there is a need for utilizable and selective carrier materials with few side effects. Here, the magnetic G...
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Article
Sandwich-shape composite film displaying conductive aeolotropy, magnetism and fluorescence and derived 3D tri-wall tube
Novel two-dimensional (2D) sandwich-shape composite film (SSCF) with multi-function was successfully prepared by adopting electrospinning technology. The SSCF is composed of three layers. The first layer is do...
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Article
Synthesis and Ethanol Sensing Properties of SnO2 Nanoparticles in SnO2 Nanotubes Composite
Multidimensional nanostructures (0D–1D composite nanostructure) SnO2 nanoparticles in SnO2 nanotubes were easily synthesized by combining the co-precipitation method with the coaxial electrospinning method. SnO2 ...
