AIMC Journal:
International journal of molecular sciences

Showing 311 to 320 of 423 articles

Application of Supervised SOM Algorithms in Predicting the Hepatotoxic Potential of Drugs.

International journal of molecular sciences Apr 24, 2021
The hepatotoxic potential of drugs is one of the main reasons why a number of drugs never reach the market or have to be withdrawn from the market. Therefore, the evaluation of the hepatotoxic potential of drugs is an important part of the drug devel...
Chemical and Drug Induced Liver Injury Databases, Pharmaceutical Humans Neural Networks, Computer Liver Drug-Related Side Effects and Adverse Reactions Algorithms
View on PubMed DOI

Deep Learning in Virtual Screening: Recent Applications and Developments.

International journal of molecular sciences Apr 23, 2021
Drug discovery is a cost and time-intensive process that is often assisted by computational methods, such as virtual screening, to speed up and guide the design of new compounds. For many years, machine learning methods have been successfully applied...
Drug Discovery Deep Learning Proteins Technology, Pharmaceutical Computational Biology Humans Neural Networks, Computer Drug Design
View on PubMed DOI

Towards the Interpretability of Machine Learning Predictions for Medical Applications Targeting Personalised Therapies: A Cancer Case Survey.

International journal of molecular sciences Apr 22, 2021
Artificial Intelligence is providing astonishing results, with medicine being one of its favourite playgrounds. Machine Learning and, in particular, Deep Neural Networks are behind this revolution. Among the most challenging targets of interest in me...
Machine Learning Precision Medicine Neoplasms Humans Neural Networks, Computer Molecular Targeted Therapy Antineoplastic Agents Neoplasm Proteins
View on PubMed DOI

MET Exon 14 Skipping: A Case Study for the Detection of Genetic Variants in Cancer Driver Genes by Deep Learning.

International journal of molecular sciences Apr 19, 2021
BACKGROUND: Disruption of alternative splicing (AS) is frequently observed in cancer and might represent an important signature for tumor progression and therapy. Exon skipping (ES) represents one of the most frequent AS events, and in non-small cell...
Humans Neural Networks, Computer Exons Deep Learning Genetic Variation
View on PubMed DOI

CBCR: A Curriculum Based Strategy For Chromosome Reconstruction.

International journal of molecular sciences Apr 16, 2021
In this paper, we introduce a novel algorithm that aims to estimate chromosomes' structure from their Hi-C contact data, called Curriculum Based Chromosome Reconstruction (CBCR). Specifically, our method performs this three dimensional reconstruction...
Models, Genetic Humans Chromosomes Machine Learning Chromosome Mapping
View on PubMed DOI

Machine Learning-Based Classification of Lignocellulosic Biomass from Pyrolysis-Molecular Beam Mass Spectrometry Data.

International journal of molecular sciences Apr 15, 2021
High-throughput analysis of biomass is necessary to ensure consistent and uniform feedstocks for agricultural and bioenergy applications and is needed to inform genomics and systems biology models. Pyrolysis followed by mass spectrometry such as mole...
Pyrolysis Principal Component Analysis Cluster Analysis Biomass Lignin Mass Spectrometry Machine Learning Algorithms
View on PubMed DOI

Ligand-Receptor Interactions and Machine Learning in GCGR and GLP-1R Drug Discovery.

International journal of molecular sciences Apr 14, 2021
The large amount of data that has been collected so far for G protein-coupled receptors requires machine learning (ML) approaches to fully exploit its potential. Our previous ML model based on gradient boosting used for prediction of drug affinity an...
Drug Discovery Ligands Glucagon-Like Peptide-1 Receptor Machine Learning
View on PubMed DOI

A Cascade Graph Convolutional Network for Predicting Protein-Ligand Binding Affinity.

International journal of molecular sciences Apr 14, 2021
Accurate prediction of binding affinity between protein and ligand is a very important step in the field of drug discovery. Although there are many methods based on different assumptions and rules do exist, prediction performance of protein-ligand bi...
Proteins Databases, Protein Ligands Protein Binding Models, Theoretical Neural Networks, Computer
View on PubMed DOI

Trace Identification and Visualization of Multiple Benzimidazole Pesticide Residues on Leaves Using Terahertz Imaging Combined with Deep Learning.

International journal of molecular sciences Mar 26, 2021
Molecular spectroscopy has been widely used to identify pesticides. The main limitation of this approach is the difficulty of identifying pesticides with similar molecular structures. When these pesticide residues are in trace and mixed states in pla...
Terahertz Imaging Thiabendazole Toona Pesticide Residues Benzimidazoles Plant Leaves Deep Learning Density Functional Theory Pesticides Food Safety Fuzzy Logic Neural Networks, Computer Carbamates Cluster Analysis Reproducibility of Results
View on PubMed DOI

Machine Learning Reduced Gene/Non-Coding RNA Features That Classify Schizophrenia Patients Accurately and Highlight Insightful Gene Clusters.

International journal of molecular sciences Mar 25, 2021
RNA-seq has been a powerful method to detect the differentially expressed genes/long non-coding RNAs (lncRNAs) in schizophrenia (SCZ) patients; however, due to overfitting problems differentially expressed targets (DETs) cannot be used properly as bi...
RNA, Long Noncoding Factor Analysis, Statistical Multigene Family RNA, Untranslated Schizophrenia RNA-Seq Algorithms Computational Biology RNA, Messenger Biomarkers Prefrontal Cortex Humans Transcriptome Diagnosis, Computer-Assisted Machine Learning
View on PubMed DOI
Popular Topics
Popular Journals