AIMC Topic: Cytochrome P-450 Enzyme System

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FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Journal of chemical information and modeling Aug 7, 2017
UNLABELLED: We report on the further development of FAst MEtabolizer (FAME; J. Chem. Inf.
Stereoisomerism Substrate Specificity Xenobiotics Computational Biology Cytochrome P-450 Enzyme System Machine Learning Software
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Positive-Unlabeled Learning for inferring drug interactions based on heterogeneous attributes.

BMC bioinformatics Mar 1, 2017
BACKGROUND: Investigating and understanding drug-drug interactions (DDIs) is important in improving the effectiveness of clinical care. DDIs can occur when two or more drugs are administered together. Experimentally based DDI detection methods requir...
Databases, Factual Humans Pharmaceutical Preparations Protein Isoforms Support Vector Machine Drug Interactions Cluster Analysis Cytochrome P-450 Enzyme System
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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. ...
Pharmaceutical Preparations Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Enzyme System Isoenzymes Biological Ontologies Excipients
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Improved feature-based prediction of SNPs in human cytochrome P450 enzymes.

Interdisciplinary sciences, computational life sciences Mar 21, 2015
Single nucleotide polymorphisms (SNPs) make up the most common form of mutations in human cytochrome P450 enzymes family, and have the potential to bring with different drug responses or specific diseases in individual patients. Here, based on machin...
Base Sequence Codon Humans Artificial Intelligence Amino Acids Support Vector Machine Models, Molecular Phylogeny Amino Acid Sequence Mutation Fuzzy Logic Polymorphism, Single Nucleotide Cytochrome P-450 Enzyme System Computational Biology Area Under Curve
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Measuring semantic similarities by combining gene ontology annotations and gene co-function networks.

BMC bioinformatics Feb 14, 2015
BACKGROUND: Gene Ontology (GO) has been used widely to study functional relationships between genes. The current semantic similarity measures rely only on GO annotations and GO structure. This limits the power of GO-based similarity because of the li...
Arabidopsis Proteins Gene Ontology Saccharomyces cerevisiae Proteins Metabolic Networks and Pathways Semantics Algorithms Humans Multigene Family Vocabulary, Controlled Gene Regulatory Networks Software Cytochrome P-450 Enzyme System Computational Biology Molecular Sequence Annotation
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Machine Learning on Toxicogenomic Data Reveals a Strong Association Between the Induction of Drug-Metabolizing Enzymes and Centrilobular Hepatocyte Hypertrophy in Rats.

International journal of molecular sciences May 20, 2025
Centrilobular hepatocyte hypertrophy is frequently observed in animal studies for chemical safety assessment. Although its toxicological significance and precise mechanism remain unknown, it is considered an adaptive response resulting from the induc...
Machine Learning Animals Rats Cytochrome P-450 Enzyme System Toxicogenetics Inactivation, Metabolic Liver Hepatocytes Hypertrophy
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Comparative Analysis of Machine Learning Algorithms Evaluating the Single Nucleotide Polymorphisms of Metabolizing Enzymes with Clinical Outcomes Following Intravenous Paracetamol in Preterm Neonates with Patent Ductus Arteriosus.

Current drug metabolism Jan 1, 2024
AIMS: Pharmacogenomics has been identified to play a crucial role in determining drug response. The present study aimed to identify significant genetic predictor variables influencing the therapeutic effect of paracetamol for new indications in prete...
Humans Acetaminophen Analgesics, Non-Narcotic Ductus Arteriosus, Patent Male Polymorphism, Single Nucleotide Treatment Outcome Cytochrome P-450 Enzyme System Infant, Premature Administration, Intravenous Prospective Studies Female Infant, Newborn Machine Learning Algorithms
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Using graph neural networks for site-of-metabolism prediction and its applications to ranking promiscuous enzymatic products.

Bioinformatics (Oxford, England) Mar 1, 2023
MOTIVATION: While traditionally utilized for identifying site-specific metabolic activity within a compound to alter its interaction with a metabolizing enzyme, predicting the site-of-metabolism (SOM) is essential in analyzing the promiscuity of enzy...
Neural Networks, Computer Cytochrome P-450 Enzyme System
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Hunting for New Drugs with AI.

Nature Dec 1, 2019
Drug-Related Side Effects and Adverse Reactions United States Food and Drug Administration Drug Industry United States Parkinson Disease Prostatic Neoplasms Cytochrome P-450 Enzyme System Drug Approval Cytochrome P-450 Enzyme Inhibitors Humans Artificial Intelligence Machine Learning Male Drug Design Drug Discovery
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