Overview

Semeta is an advanced platform designed to provide accurate insights into the metabolism of compounds, tailored specifically for DMPK (Drug Metabolism and Pharmacokinetics) scientists. It predicts Phase I and II metabolic routes, sites, products, and lability with high precision, enabling researchers to make informed decisions on which assays and preclinical experiments to run. Semeta integrates quantum mechanics and machine learning models to offer greater precision and sensitivity than other available software, making it an essential tool for optimizing compound design and streamlining DMPK workflows.

Features

• Predict In Vivo Metabolite Profiles: Confidently predict in vivo metabolite profiles with higher precision than other available software, aiding in the interpretation of metabolite-ID experiments.
• Complement In Vitro and In Vivo Studies: Use comprehensive in silico modeling to identify which enzymes and isoforms will metabolize your compounds, sites of metabolism, and likely metabolites.
• Identify Multiple Routes of Clearance: Reduce the risk of drug-drug interactions or issues from genetic polymorphisms by identifying compounds with multiple routes of clearance.
• Choose Appropriate Preclinical Species: Compare cytochrome P450 regioselectivity between human and animal species to select the most appropriate preclinical species for testing.
• Guide Compound Design: Identify sites vulnerable to metabolism to optimize and balance properties using a Probabilistic Scoring approach.

Benefits

• Avoid Late-Stage Failures: Prevent expensive late-stage failures from unexpected metabolism by supporting informed compound optimization and experimental prioritization.
• Enhanced Precision: Benefit from quantum mechanics and machine learning models that predict metabolic routes, sites, and products with greater precision and sensitivity.
• Comprehensive Visualization: Gain a deeper understanding of your compounds' metabolism with interactive visualization features, including metabolic pathways, regioselectivity maps, and enzyme-specific pie charts.
• Flexible Access: Work from any internet-connected computer with hassle-free deployment, easy maintenance, and built-in cloud security hosted by Amazon Web Services (AWS).
• Expert Support: Access a range of peer-reviewed publications and resources to support your research and optimize your use of Semeta.