AIMC Topic: Molecular Targeted Therapy

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Prediction of drug-target interaction by integrating diverse heterogeneous information source with multiple kernel learning and clustering methods.

Computational biology and chemistry Dec 2, 2018
BACKGROUND: Identification of potential drug-target interaction pairs is very important for pharmaceutical innovation and drug discovery. Numerous machine learning-based and network-based algorithms have been developed for predicting drug-target inte...
Humans Machine Learning Computational Biology Cluster Analysis Molecular Targeted Therapy Neoplasms Protein Binding Algorithms
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Deep learning-based transcriptome data classification for drug-target interaction prediction.

BMC genomics Sep 24, 2018
BACKGROUND: The ability to predict the interaction of drugs with target proteins is essential to research and development of drug. However, the traditional experimental paradigm is costly, and previous in silico prediction paradigms have been impeded...
Molecular Targeted Therapy Proteins Drug Interactions Computer Simulation Machine Learning Drug Discovery Transcriptome Humans Gene Expression Profiling Algorithms Models, Theoretical Databases, Factual
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Multi-target drug repositioning by bipartite block-wise sparse multi-task learning.

BMC systems biology Apr 24, 2018
BACKGROUND: Finding potential drug targets is a crucial step in drug discovery and development. Recently, resources such as the Library of Integrated Network-Based Cellular Signatures (LINCS) L1000 database provide gene expression profiles induced by...
Computational Biology Drug Repositioning Molecular Targeted Therapy Machine Learning Computer Graphics
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Identification of candidate drugs using tensor-decomposition-based unsupervised feature extraction in integrated analysis of gene expression between diseases and DrugMatrix datasets.

Scientific reports Oct 23, 2017
Identifying drug target genes in gene expression profiles is not straightforward. Because a drug targets proteins and not mRNAs, the mRNA expression of drug target genes is not always altered. In addition, the interaction between a drug and protein c...
Drug Evaluation, Preclinical Gene Expression Regulation Molecular Targeted Therapy Data Analysis Unsupervised Machine Learning Databases, Pharmaceutical Humans
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Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening.

Journal of chemical information and modeling Jul 12, 2017
In structure-based virtual screening, compound ranking through a consensus of scores from a variety of docking programs or scoring functions, rather than ranking by scores from a single program, provides better predictive performance and reduces targ...
Drug Evaluation, Preclinical Molecular Targeted Therapy Benchmarking Molecular Docking Simulation User-Computer Interface Machine Learning Proteins
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Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4.

Journal of chemical information and modeling Jul 10, 2017
Bromodomain-containing protein 4 (BRD4) is implicated in the pathogenesis of a number of different cancers, inflammatory diseases and heart failure. Much effort has been dedicated toward discovering novel scaffold BRD4 inhibitors (BRD4is) with differ...
Drug Evaluation, Preclinical Molecular Targeted Therapy Cell Cycle Proteins Protein Conformation Transcription Factors Machine Learning Cell Line Molecular Docking Simulation Drug Discovery Structure-Activity Relationship Humans Nuclear Proteins
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Literature evidence in open targets - a target validation platform.

Journal of biomedical semantics Jun 6, 2017
BACKGROUND: We present the Europe PMC literature component of Open Targets - a target validation platform that integrates various evidence to aid drug target identification and validation. The component identifies target-disease associations in docum...
Reproducibility of Results Publications Molecular Targeted Therapy Documentation Data Mining Biological Ontologies
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A novel framework for the identification of drug target proteins: Combining stacked auto-encoders with a biased support vector machine.

PloS one Apr 28, 2017
The identification of drug target proteins (IDTP) plays a critical role in biometrics. The aim of this study was to retrieve potential drug target proteins (DTPs) from a collected protein dataset, which represents an overwhelming task of great signif...
Molecular Targeted Therapy Support Vector Machine Biometry Proteins
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Drug repositioning based on triangularly balanced structure for tissue-specific diseases in incomplete interactome.

Artificial intelligence in medicine Mar 22, 2017
Finding new uses for existing drugs has become a new strategy for decades to treat more patients. Few traditional approaches consider the tissue specificities of diseases. Moreover, disease genes, drug targets and protein interaction (PPI) networks r...
Carcinoma, Hepatocellular Drug Repositioning Molecular Targeted Therapy Drug Discovery Liver Neoplasms Neural Networks, Computer Humans Databases, Factual Breast Neoplasms
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SELF-BLM: Prediction of drug-target interactions via self-training SVM.

PloS one Feb 13, 2017
Predicting drug-target interactions is important for the development of novel drugs and the repositioning of drugs. To predict such interactions, there are a number of methods based on drug and target protein similarity. Although these methods, such ...
Receptors, G-Protein-Coupled Algorithms Humans Computational Biology Internet Molecular Targeted Therapy Reproducibility of Results Protein Binding Support Vector Machine Models, Theoretical Pharmaceutical Preparations Proteins
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