AIMC Topic: Cytochrome P-450 Enzyme Inhibitors

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ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches.

Journal of chemical information and modeling Nov 5, 2019
Adverse effects induced by drug-drug interactions may result in early termination of drug development or even withdrawal of drugs from the market, and many drug-drug interactions are caused by the inhibition of cytochrome P450 (CYP450) enzymes. There...
Models, Biological Cytochrome P-450 Enzyme System Drug Discovery Cytochrome P-450 Enzyme Inhibitors Quantitative Structure-Activity Relationship Protein Isoforms Neural Networks, Computer Artificial Intelligence Machine Learning Algorithms Humans
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Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network.

Molecular pharmaceutics May 30, 2018
Adverse side effects of drug-drug interactions induced by human cytochrome P450 (CYP450) inhibition is an important consideration in drug discovery. It is highly desirable to develop computational models that can predict the inhibitive effect of a co...
Cytochrome P-450 Enzyme Inhibitors Protein Isoforms Algorithms Neural Networks, Computer Drug Interactions Cytochrome P-450 Enzyme System Machine Learning Humans Quantitative Structure-Activity Relationship
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Chemogenomic Active Learning's Domain of Applicability on Small, Sparse qHTS Matrices: A Study Using Cytochrome P450 and Nuclear Hormone Receptor Families.

ChemMedChem Feb 5, 2018
Computational models for predicting the activity of small molecules against targets are now routinely developed and used in academia and industry, partially due to public bioactivity databases. While models based on bigger datasets are the trend, rec...
Cytochrome P-450 Enzyme System Receptors, Cytoplasmic and Nuclear Small Molecule Libraries Cytochrome P-450 Enzyme Inhibitors Databases, Factual Ligands Algorithms Humans Machine Learning
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An accurate and precise representation of drug ingredients.

Journal of biomedical semantics Apr 19, 2016
BACKGROUND: In previous work, we built the Drug Ontology (DrOn) to support comparative effectiveness research use cases. Here, we have updated our representation of ingredients to include both active ingredients (and their strengths) and excipients. ...
Excipients Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Enzyme System Pharmaceutical Preparations Biological Ontologies Isoenzymes
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Hunting for New Drugs with AI.

Nature Dec 1, 2019
Humans Drug-Related Side Effects and Adverse Reactions United States Food and Drug Administration Prostatic Neoplasms Drug Approval Cytochrome P-450 Enzyme Inhibitors Drug Industry Cytochrome P-450 Enzyme System United States Machine Learning Artificial Intelligence Parkinson Disease Male Drug Design Drug Discovery
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In silico prediction of multiple-category classification model for cytochrome P450 inhibitors and non-inhibitors using machine-learning method.

SAR and QSAR in environmental research Oct 1, 2017
The cytochrome P450 (CYP) enzyme superfamily is involved in phase I metabolism which chemically modifies a variety of substrates via oxidative reactions to make them more water-soluble and easier to eliminate. Inhibition of these enzymes leads to und...
Computer Simulation Quantitative Structure-Activity Relationship Humans Bayes Theorem Cytochrome P-450 Enzyme Inhibitors Machine Learning
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