New methods in predictive metabolism

Same author

Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics.

Journal of cheminformatics·2026

Same author

Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data.

Scientific reports·2026

Same author

Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows.

Analytical chemistry·2025

Same author

Prediction of peptide cleavage sites using protein language models and graph neural networks.

Scientific reports·2025

Same author

An automated software-assisted approach for exploring metabolic susceptibility and degradation products in macromolecules using high-resolution mass spectrometry.

PloS one·2025

Same author

Refined ADME Profiles for ATC Drug Classes.

Pharmaceutics·2025

Same journal

Discovery of novel perillyl and myrtenyl nucleobase conjugates as dual anti-Alzheimer and antimicrobial agents.

Molecular diversity·2026

Same journal

Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disorders.

Molecular diversity·2026

Same journal

Design, synthesis and biological evaluations of novel VEGFR-2 inhibitors based on Fruquintinib and Cabozantinib.

Molecular diversity·2026

Same journal

Integrative subtractive genomics and molecular dynamics-based approach for drug repurposing against female genital tuberculosis.

Molecular diversity·2026

Same journal

Design, synthesis, and biological evaluation of novel isobenzofuran-1(3H)-one derivatives with antioxidant properties and improved oral bioavailability.

Molecular diversity·2026

Same journal

Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.

Molecular diversity·2026

Related Experiment Videos

New methods in predictive metabolism

Related Concept Videos

Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics.

Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data.

Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows.

Prediction of peptide cleavage sites using protein language models and graph neural networks.

An automated software-assisted approach for exploring metabolic susceptibility and degradation products in macromolecules using high-resolution mass spectrometry.

Refined ADME Profiles for ATC Drug Classes.

Discovery of novel perillyl and myrtenyl nucleobase conjugates as dual anti-Alzheimer and antimicrobial agents.

Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disorders.

Design, synthesis and biological evaluations of novel VEGFR-2 inhibitors based on Fruquintinib and Cabozantinib.

Integrative subtractive genomics and molecular dynamics-based approach for drug repurposing against female genital tuberculosis.

Design, synthesis, and biological evaluation of novel isobenzofuran-1(3H)-one derivatives with antioxidant properties and improved oral bioavailability.

Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.

Related Experiment Videos

New methods in predictive metabolism

Related Concept Videos

Related Articles

Helmkit: fast and robust conversion of HELM notation to atomistic representations for large-scale macromolecular informatics.

Predicting enzymatic cleavage sites in cyclic peptides with non-canonical amino acids using a Graphormer model trained on MetID user data.

Machine Learning-Assisted False Positive Detection in Metabolite Identification Workflows.

Prediction of peptide cleavage sites using protein language models and graph neural networks.

An automated software-assisted approach for exploring metabolic susceptibility and degradation products in macromolecules using high-resolution mass spectrometry.

Refined ADME Profiles for ATC Drug Classes.

Discovery of novel perillyl and myrtenyl nucleobase conjugates as dual anti-Alzheimer and antimicrobial agents.

Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disorders.

Design, synthesis and biological evaluations of novel VEGFR-2 inhibitors based on Fruquintinib and Cabozantinib.

Integrative subtractive genomics and molecular dynamics-based approach for drug repurposing against female genital tuberculosis.

Design, synthesis, and biological evaluation of novel isobenzofuran-1(3H)-one derivatives with antioxidant properties and improved oral bioavailability.

Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.