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Publications

Read our latest publications

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Solution

Date

Poster

A machine-learned Bond Dissociation Enthalpy model to support predictions of forced degradation

  • May 2023
  • Impurity and degradant control

Paper

Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs

  • May 2023
  • Metabolite identification and analysis

Paper

Making in silico predictive models for toxicology FAIR

  • May 2023
  • Data sharing

Paper

An in silico workflow for assessing the sensitisation potential of extractables and leachables

  • May 2023
  • Skin sensitisation assessment

QMRF

Derek Nexus version 6.2.1 Skin sensitisation QMRF

  • Apr 2023
  • Skin sensitisation assessment

Paper

Federated learning for molecular discovery

  • Apr 2023
  • Safety profiling in drug discovery

QMRF

Derek Nexus version 6.2.1 Chromosome damage QMRF

  • Apr 2023
  • Toxicity assessment of impurities

Paper

Development of the Methodology for in Silico Reactivity-Based Purge Predictions: Making Mirabilis Think Like a Chemist

  • Mar 2023
  • Impurity and degradant control

Poster

Assessing whether Expert Knowledge-Based and Statistical In Silico Models Can Be Used to Predict the Sensitization Potential of Extractables and Leachables

  • Mar 2023
  • Skin sensitisation assessment

Paper

Drawing a Line: Where Might the Cohort of Concern End?

  • Mar 2023
  • Nitrosamine impurity risk assessment

Paper

Establishing Best Practice for the Application and Support of Solubility Purge Factors

  • Mar 2023
  • Impurity and degradant control

Paper

Risk assessment in the 21st century: where are we heading?

  • Feb 2023
  • Safety profiling in drug discovery
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