AIMC Journal:
International journal of molecular sciences

Showing 291 to 300 of 423 articles

iBitter-Fuse: A Novel Sequence-Based Bitter Peptide Predictor by Fusing Multi-View Features.

International journal of molecular sciences Aug 19, 2021
Accurate identification of bitter peptides is of great importance for better understanding their biochemical and biophysical properties. To date, machine learning-based methods have become effective approaches for providing a good avenue for identify...
Humans Machine Learning Software Algorithms Benchmarking Taste Support Vector Machine Predictive Value of Tests Peptide Fragments
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PYTHIA: Deep Learning Approach for Local Protein Conformation Prediction.

International journal of molecular sciences Aug 17, 2021
Protein Blocks (PBs) are a widely used structural alphabet describing local protein backbone conformation in terms of 16 possible conformational states, adopted by five consecutive amino acids. The representation of complex protein 3D structures as 1...
Models, Molecular Protein Conformation Sequence Analysis, Protein Deep Learning Proteins Neural Networks, Computer Databases, Protein Software Humans Algorithms
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GATNNCDA: A Method Based on Graph Attention Network and Multi-Layer Neural Network for Predicting circRNA-Disease Associations.

International journal of molecular sciences Aug 7, 2021
Circular RNAs (circRNAs) are a new class of endogenous non-coding RNAs with covalent closed loop structure. Researchers have revealed that circRNAs play an important role in human diseases. As experimental identification of interactions between circR...
Humans Neural Networks, Computer Female Computational Biology Databases, Nucleic Acid RNA, Neoplasm RNA, Circular Breast Neoplasms Liver Neoplasms Carcinoma, Hepatocellular
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Prediction of Drug-Induced Liver Toxicity Using SVM and Optimal Descriptor Sets.

International journal of molecular sciences Jul 28, 2021
Drug-induced liver toxicity is one of the significant safety challenges for the patient's health and the pharmaceutical industry. It causes termination of drug candidates in clinical trials and also the retractions of approved drugs from the market. ...
Quantitative Structure-Activity Relationship Chemical and Drug Induced Liver Injury Liver Models, Biological Data Accuracy Computer Simulation Sensitivity and Specificity Support Vector Machine Humans
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Deep Learning with Neuroimaging and Genomics in Alzheimer's Disease.

International journal of molecular sciences Jul 24, 2021
A growing body of evidence currently proposes that deep learning approaches can serve as an essential cornerstone for the diagnosis and prediction of Alzheimer's disease (AD). In light of the latest advancements in neuroimaging and genomics, numerous...
Brain Deep Learning Genomics Humans Alzheimer Disease Neuroimaging
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Performance Comparisons of AlexNet and GoogLeNet in Cell Growth Inhibition IC50 Prediction.

International journal of molecular sciences Jul 19, 2021
Drug responses in cancer are diverse due to heterogenous genomic profiles. Drug responsiveness prediction is important in clinical response to specific cancer treatments. Recently, multi-class drug responsiveness models based on deep learning (DL) mo...
Humans Antineoplastic Agents ROC Curve Neural Networks, Computer Biomarkers, Pharmacological Deep Learning Models, Theoretical Growth Inhibitors Forecasting Pharmacogenetics Inhibitory Concentration 50 Precision Medicine
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Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors.

International journal of molecular sciences Jul 19, 2021
In the last year, the COVID-19 pandemic has highly affected the lifestyle of the world population, encouraging the scientific community towards a great effort on studying the infection molecular mechanisms. Several vaccine formulations are nowadays a...
Coronavirus Protease Inhibitors Viral Proteases Drug Evaluation, Preclinical Supervised Machine Learning COVID-19 Drug Treatment Viral Nonstructural Proteins Small Molecule Libraries Databases, Pharmaceutical Antiviral Agents Support Vector Machine Molecular Dynamics Simulation COVID-19 SARS-CoV-2 Molecular Docking Simulation Humans Pandemics
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning.

International journal of molecular sciences Jul 8, 2021
Theophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and tern...
Water Models, Chemical Solubility Machine Learning Choline Solvents Theophylline
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In-Pero: Exploiting Deep Learning Embeddings of Protein Sequences to Predict the Localisation of Peroxisomal Proteins.

International journal of molecular sciences Jun 15, 2021
Peroxisomes are ubiquitous membrane-bound organelles, and aberrant localisation of peroxisomal proteins contributes to the pathogenesis of several disorders. Many computational methods focus on assigning protein sequences to subcellular compartments,...
Protein Transport Peroxisomes Deep Learning Software Mitochondrial Proteins Membrane Proteins Amino Acid Sequence Algorithms Reproducibility of Results
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Recent Applications of Deep Learning Methods on Evolution- and Contact-Based Protein Structure Prediction.

International journal of molecular sciences Jun 2, 2021
The new advances in deep learning methods have influenced many aspects of scientific research, including the study of the protein system. The prediction of proteins' 3D structural components is now heavily dependent on machine learning techniques tha...
Evolution, Molecular Databases, Protein Amino Acid Sequence Software Humans Protein Conformation Deep Learning Neural Networks, Computer Sequence Alignment Computational Biology Machine Learning
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