A5100425398- Computational Drug Discovery Methods
- Aquaculture disease management and microbiota
- Drug-Induced Hepatotoxicity and Protection
- Bioinformatics and Genomic Networks
- Machine Learning in Materials Science
- Protein Structure and Dynamics
- Rheumatoid Arthritis Research and Therapies
- Receptor Mechanisms and Signaling
- Pharmaceutical and Antibiotic Environmental Impacts
- Metabolomics and Mass Spectrometry Studies
- Pharmacogenetics and Drug Metabolism
- Data Management and Algorithms
- Spectroscopy and Chemometric Analyses
- Vibrio bacteria research studies
- Cardiac electrophysiology and arrhythmias
- Artificial Intelligence in Healthcare
- Microbial Community Ecology and Physiology
- Microbial infections and disease research
- Biosimilars and Bioanalytical Methods
- Environmental DNA in Biodiversity Studies
- Influenza Virus Research Studies
- Plant-based Medicinal Research
- Environmental Toxicology and Ecotoxicology
- Gut microbiota and health
- Microbial Natural Products and Biosynthesis
Liaoning University
2016-2025
National Center for Advancing Translational Sciences
2022-2025
National Institutes of Health
2022-2025
Jiangxi Agricultural University
2022-2024
Chinese Academy of Medical Sciences & Peking Union Medical College
2005-2024
China University of Mining and Technology
2023
First Affiliated Hospital of Guangdong Pharmaceutical University
2023
UNSW Sydney
2021-2022
Changchun University of Technology
2018-2022
Sichuan Agricultural University
2017-2022
Abstract Carcinogenicity refers to a highly toxic end point of certain chemicals, and has become an important issue in the drug development process. In this study, three novel ensemble classification models, namely Ensemble SVM, RF, XGBoost, were developed predict carcinogenicity chemicals using seven types molecular fingerprints machine learning methods based on dataset containing 1003 diverse compounds with rat carcinogenicity. Among these XGBoost is found be best, giving average accuracy...
The carcinogenicity of drugs can have a serious impact on human health, so testing new compounds is very necessary before being put the market. Currently, many methods been used to predict compounds. However, most limited predictive power and there still much room for improvement. In this study, we construct deep learning model based capsule network attention mechanism named DCAMCP discriminate between carcinogenic non-carcinogenic We train dataset containing 1564 different through their...
The ability of chemicals to enter the blood–brain barrier (BBB) is a key factor for central nervous system (CNS) drug development. Although many models BBB permeability prediction have been developed, they insufficient accuracy (ACC) and sensitivity (SEN). To improve performance, ensemble were built predict compounds. In this study, in silico ensemble-learning developed using 3 machine-learning algorithms 9 molecular fingerprints from 1757 (integrated 2 published data sets) permeability....
The antimicrobial quantitative structure–activity relationship of plant flavonoids against Gram-positive bacteria was established in our previous works, and the cell membrane confirmed as a major site action. To investigate whether have similar antibacterial effects mechanisms both Gram-negative bacteria, here, minimum inhibitory concentrations (MICs) 37 Escherichia coli were determined using microdilution broth method, then correlation between their lipophilic parameter ACD/LogP...
Drug-induced liver injury (DILI) is a major safety concern in the drug-development process, and various methods have been proposed to predict hepatotoxicity of compounds during early stages drug trials. In this study, we developed an ensemble model using 3 machine learning algorithms 12 molecular fingerprints from dataset containing 1241 diverse compounds. The achieved average accuracy 71.1 ± 2.6%, sensitivity (SE) 79.9 3.6%, specificity (SP) 60.3 4.8%, area under receiver-operating...
The present study investigated the effects of dietary vitamin A on immune function in proximal intestine (PI), mid (MI) and distal (DI) young grass carp (Ctenopharyngodon idella). Fish were fed graded levels for 10 weeks, then a challenge test using an injection Aeromonas hydrophila was conducted 14 d. results showed that, compared with optimum level, deficiency significantly decreased fish growth performance, increased enteritis morbidity, intestinal innate humoral response aggravated...
RNA-protein interactions are essential for understanding many important cellular processes. In particular, lncRNA-protein play roles in post-transcriptional gene regulation, such as splicing, translation, signaling and even the progression of complex diseases. However, experimental validation remains time-consuming expensive, only a few theoretical approaches available predicting potential associations. Here, we presented eigenvalue transformation-based semi-supervised link prediction...
Aeromonas veronii is a Gram-negative rod-shaped motile bacterium that inhabits mainly freshwater environments. A. pathogen of aquatic animals, causing diseases in fish. also an emerging human enteric pathogen, gastroenteritis with various severities and often being detected patients inflammatory bowel disease. Currently, limited information available on the genomic strains cause gastrointestinal diseases. Here we sequenced, assembled analysed 25 genomes (one complete genome 24 draft genomes)...
Abstract In clinical treatment, two or more drugs (i.e. drug combination) are simultaneously successively used for therapy with the purpose of primarily enhancing therapeutic efficacy reducing side effects. However, inappropriate combination may not only fail to improve efficacy, but even lead adverse reactions. Therefore, according basic principle improving and/or reactions, we should study drug–drug interactions (DDIs) comprehensively and thoroughly so as reasonably use combination. this...
Abstract Natural Products (NPs) are increasingly utilized worldwide for their potential therapeutic benefits, including central nervous system (CNS) disorders. Studies have shown açai berries mitigating Parkinson’s disease progression through dopaminergic neuroprotection via Nrf-2 HO-1 pathways. Ashwagandha, an evergreen shrub, has as a neurodegenerative disorders axonal regeneration in Aβ25-35-treated cortical neurons vitro. In most cases, promising NPs tested using vitro assays or simpler...
Superfund sites are where soil, air, and water polluted with hazardous materials. Individuals residing working in these areas often exposed to metals other materials, leading many adverse health outcomes, including cancer. While individuals multiple chemicals simultaneously, the combined effect of such exposures remains largely unexplored. Here, we investigated toxicity metal mixtures five categories vitro assays measuring cytotoxicity, oxidative stress, genotoxicity, cytokine release,...