Semeta

Accurate Metabolism Insights for DMPK Scientists

Semeta provides precise predictions of Phase I and II metabolic routes, sites, products, and lability, offering valuable insights into compound metabolism. This enables scientists to make informed decisions about assays and preclinical experiments, enhancing the efficiency of DMPK workflows.

Understanding Metabolic Fate

By predicting in vivo metabolite profiles with high precision, Semeta helps avoid costly late-stage failures due to unexpected metabolism. It supports compound optimization and experimental prioritization, reducing the risk of drug-drug interactions and issues from genetic polymorphisms.

Comprehensive In Silico Modelling

Semeta complements in vitro and in vivo DMPK studies with detailed in silico models that identify enzymes and isoforms responsible for metabolizing compounds. It helps in choosing the most appropriate preclinical species by comparing cytochrome P450 regioselectivity between humans and animals.

Advanced Modelling Techniques

Utilizing quantum mechanics and machine learning, Semeta predicts metabolic routes, sites, and products with greater precision than other methods. It covers key enzymes involved in human Phase I and II metabolism, including Cytochrome P450s, Flavin-containing monooxygenases, Aldehyde oxidases, Uridine diphosphate glucuronosyltransferases, and Sulfotransferases.

Interactive Visualization

Semeta offers interactive visualization features that enhance understanding of metabolic pathways. Users can generate pathways, identify vulnerable sites with regioselectivity maps, and quickly see responsible enzymes using WhichEnzyme™ and WhichP450™ pie charts.

Cloud-Based Access

Semeta is accessible from any internet-connected computer, offering secure, cloud-based deployment hosted by Amazon Web Services. It ensures easy maintenance and robust security, supported by an ISO 27001-accredited information security system.

Integration with StarDrop

For extended functionality, Semeta's models are available as a Metabolism module within the StarDrop drug discovery platform, providing additional features like SAR analysis, generative chemistry, and 3D drug design capabilities.