ENDPOINTS IN PIPELINE

ENDPOINTS:

  • Physico-chemical properties
  • Environmental properties
  • Ecotoxicity endpoints
  • Human Health Endpoints
  • Endocrine Disruption Potential

Physico-chemical properties

- Log Kow: extension of applicability domain (juin 2021)

- Solubility: extension of applicability domain (juin 2021)

- Vapour Pressure: extension of applicability domain (juin 2021)

Environmental properties

Ecotoxicity endpoints

KREATiS is currently working on development of new in silico models to predict these following endpoints in ecotoxicology :

- update of the acute and chonic toxicity to fish, daphnids and algae for non-polar narcotic compounds (i.e. MechoA 1.1) taking into account main categories of colorants such as anthraquinones, sulfonates, azo and nitro compounds (summer 2021)

- update of the acute and chonic toxicity to fish, daphnids and algae for polar narcotic compounds (i.e. MechoA 1.2) taking into account anilines (second half of 2021)

- update of the acute and chronic toxicity to fish, daphnids and algae for reactive compounds (i.e. MechoA 3.1 and 3.2) like aldehydes, epoxides and acrylates (April and summer 2021)

- new model of the chronic toxicity to fish, daphnids and algae for Natural Complex Substances(i.e. essential oils) (MechoA 5.2) (second half of 2021)

Human Health Endpoints

KREATiS is currently working on development of new in silico models to predict these following endpoints in toxicology:

- Sensitisation MIE key event 1, with or without metabolic activation

- Dermal absorption

Endocrine Disruption Potential

KREATiS is currently working on development of new in silico models to predict these following endpoints :

- Molecular Dynamics – expected later 2021

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