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DISCOVERY STUDIO

Optimize your drug discovery process with a flexible application that delivers  predictive science to its required depth.

Life Sciences Modeling & Simulation

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Predictive Toxicology

Predict potential chemical toxicity based solely on a molecular structure with the help of the Discovery Studio Predictive Toxicology tool, Discovery Studio TOPKAT.

With methodologies that are patented, cross-validated, and experimentally-based, you’ll feel confident in the accuracy of results returned from:

  • Physical and chemical tests
  • Environmental fate tests
  • Ecotoxicity tests
  • Toxicity tests
  • Mutagenicity tests
  • Subchronic reproductive and developmental tests

Toxicology descriptors include:

  • Rodent carcinogenicity
  • Ames mutagenicity
  • Rat oral LD50
  • Rat chronic LOAEL
  • Developmental toxicity potential
  • Skin sensitization
  • Fathead minnow LC50
  • Daphnia magna EC50
  • Weight of evidence rodent carcinogenicity
  • Rat maximum tolerated dose
  • Aerobic biodegradability
  • Eye irritancy
  • Log P
  • Rabbit skin irritancy
  • Rat inhalation toxicity LC50
  • Rat maximum tolerated dose

Read the Discovery Studio Predictive Toxicology Datasheet

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