Applications

Transforming advanced technologies into practical solutions for industry and society

Drug discovery & Optimization

  • Identification and validation of disease related targets
  • Hit and lead optimization through combinatorial chemistry, virtual screening and molecular dynamics
  • Prediction of pharmacokinetic properties
  • Prediction of toxicity and side effects
  • Biomarkers for treatment efficacy

Precision medicine

  • Disease and treatment mechanism studies
  • Omics studies for patient stratification
  • Omics biomarkers for early diagnosis
  • Drug interactions studies with different protein isoforms
  • Protein-Protein interaction network studies for targeted design

Food & Nutrition

  • Food quality control
  • Evaluation of the microbiome by metabolomics feces analysis
  • Metabolomic response to specific foods
  • Identification and characterization of bioactive compounds from plants, microbes, and foods (nutraceuticals and cosmeceuticals)
  • Machine learning predictions to correlate dietary patterns linked to chronic diseases
  • Modelling and interaction studies with microbiome-related receptors

Plants & Agriculture

  • Identification and characterization of bioactive natural products
  • Biomarkers for seed fertility
  • Machine learning predictions to identify factors the affect plant growth
  • Prediction of (eco)toxicological parameters of plant protection products
  • Protein-Protein interaction network studies between plant and pythopathogen proteins

Cosmetics

  • Prediction of (eco)toxicological properties of cosmetic ingredients
  • Pharmacokinetics of cosmetical products
  • Omics studies on skin models
  • Identification of active ingredients in food or residual products
MolDrug AI Systems
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