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Black phosphorous-based biomaterials for bone defect regeneration: a systematic review and meta-analysis
Critical-sized bone defects are always difficult to treat, and they are associated with a significant burden of disease in clinical practice. In...
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The effect of niacin on inflammatory markers and adipokines: a systematic review and meta-analysis of interventional studies
PurposeNiacin (nicotinic acid), known for its lipid-modifying effects, has been explored for its potential anti-inflammatory properties and potential...
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Methods in Nutrition Research
Many different research designs are available for investigating nutrition-related questions. Each one has strengths and weaknesses. Much...
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HDAC2 SCAN: An Expert System for Virtual Screening of Histone Deacetylase 2 Inhibitors
AbstractHistone deacetylase 2 inhibitors (HDAC2) are developed as effective drugs for the treatment of various diseases. Using various types of...
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Combination of Data-Driven and Physics-Based Models for Thick Sintered Electrode Lithium-Ion Batteries
This work explored the use of physics-based and machine learning models in the context of a promising battery material system. The battery materials...
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Use of Longitudinal Serum Analysis and Machine Learning to Develop a Classifier for Cancer Early Detection
Early detection of solid tumors through a simple screening process, such as the proteomic analysis of biofluids, has the potential to significantly...
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Predicting thermal decomposition temperatures of imidazolium-based energetic ionic liquids using norm indexes
Energetic ionic liquids (EILs) have been widely applied in propellants, high-energy explosives, etc., but may trigger thermal hazards. Predicting the...
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Association between serum uric acid and prostate cancer risk in East Asian populations: a Mendelian randomization study
PurposePrevious observational studies showed that serum uric acid (SUA) was associated with prostate cancer, but the causal relationship is unclear....
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Ligand-Directed GPCR Antibody Discovery
Develo** affinity reagents recognizing and modulating G-protein coupled receptors (GPCR) function by traditional animal immunization or in vitro...
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A PLS study on the psychotropic activity for a series of cannabinoid compounds
IntroductionThe use of the Cannabis sativa plant by man has been common for centuries due to its numerous therapeutic properties resulting from the...
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Minimum elutriation velocity of the binary solid mixture — Empirical correlation and genetic algorithm (GA) modeling
The solid-water fluidized bed was investigated with a binary mixture of irregularly shaped sand particles. A binary mixture was produced by mixing...
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SMILES-Based Bioactivity Descriptors to Model the Anti-dengue Virus Activity: A Case Study
The present work aims to demonstrate the significance of the newly suggested bioactivity descriptorsBioactivity descriptors (so-called...
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The Causes for Genomic Instability and How to Try and Reduce Them Through Rational Design of Synthetic DNA
Genetic engineering has revolutionized our ability to manipulate DNA and engineer organisms for various applications. However, this approach can lead...
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Associations of alcohol and coffee with colorectal cancer risk in East Asian populations: a Mendelian randomization study
PurposePrevious observational studies have shown that alcohol and coffee were associated with colorectal cancer (CRC) risk, but the causal...
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PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Protein mutations, especially those which occur in the binding site, play an important role in inter-individual drug response and may alter binding...
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On Complementary Approaches of Assessing the Predictive Potential of QSPR/QSAR Models
This chapter covers an overview of recent studies performed to improve the statistical tools to assess and compare different QSPR/QSAR models. The...
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A 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...
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Chemometric Study, Homology Modeling of G Protein-Coupled Bile Acids Receptor (GPBAR_HUMAN) of Type-2 Diabetes Mellitus, Virtual Screening Evaluation, Drug-Likeness and ADME Prediction for Newly Designed Compounds
Chemometric validation of the reported experimental activities of nicotinamide and carboxamide analogues against diabetes were determined via ...
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2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives
In this work, 2D-quantitative structure–activity relationship (QSAR) studies were performed on a set of 40 indolone derivative hybrids; the 40...
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Research of new acetylcholinesterase inhibitors based on QSAR and molecular docking studies of benzene-based carbamate derivatives
In the current study, we carried out a quantitative structure–activity relationship study of a series of thirty benzene-based carbamate derivatives...
