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Isoenzymes

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An accurate and precise representation of drug ingredients.

Journal of biomedical semantics
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. ...

Knowledge-transfer learning for prediction of matrix metalloprotease substrate-cleavage sites.

Scientific reports
Matrix Metalloproteases (MMPs) are an important family of proteases that play crucial roles in key cellular and disease processes. Therefore, MMPs constitute important targets for drug design, development and delivery. Advanced proteomic technologies...

Survey of Machine Learning Techniques for Prediction of the Isoform Specificity of Cytochrome P450 Substrates.

Current drug metabolism
BACKGROUND: Determination or prediction of the Absorption, Distribution, Metabolism, and Excretion (ADME) properties of drug candidates and drug-induced toxicity plays crucial roles in drug discovery and development. Metabolism is one of the most com...

Prediction of genetic alteration of phospholipase C isozymes in brain disorders: Studies with deep learning.

Advances in biological regulation
Genetic mutations leading to the development of various diseases, such as cancer, diabetes, and neurodegenerative disorders, can be attributed to multiple mechanisms and exposure to diverse environments. These disorders further increase gene mutation...

Harnessing machine learning to predict cytochrome P450 inhibition through molecular properties.

Archives of toxicology
Cytochrome P450 enzymes are a superfamily of enzymes responsible for the metabolism of a variety of medicines and xenobiotics. Among the Cytochrome P450 family, five isozymes that include 1A2, 2C9, 2C19, 2D6, and 3A4 are most important for the metabo...