iSfR desktop

Product category: Data Services
Product code: KRE-iSfRdesk

iSafeRat desktop licence (one user)

iSafeRat® (in silico Algorithms For Environmental Risk And Toxicity) is a High-Accuracy QSAR (HA-QSAR) modelling suite available in desktop and online versions predicting physico-chemical, ecotoxicological and toxicological properties of organic molecules using chemical structure as the principle input parameter in the form of a SMILES code.

The code generates log Kow which in turn predicts water solubility values determined from thousands of in-house validated, quality data. From there the molecule passes through the MechoA scheme, a Molecular Initiating Event based SAR, which is used to decide which HA-QSARs are the most relevant for the test substance. We have currently included 26 MechoA sub-classes in our model.

Acute and chronic (where available) ecotoxicity values for single substances and mixtures (WAFs) are predicted for micro-organisms, algae, daphnids and fish for ecotoxicity.

For human health, skin and eye irritation, sensitisation (screening) are predicted.

Vendor: KREATiS

Software licence
10000.00 EUR


SaferWorldbyDesign integrates in silico and in vitro methods to develop standard and premium Integrated Approaches to Testing and Assessment (IATAs), including methods that support ingredient and formulation screening and testing, product design and the preparation of Regulatory Dossiers.


Edelweiss Connect GmbH is registered as a limited company with Handelsregisteramt of Kanton Basel-Stadt

Swiss ID (UID) number: CHE-114.414.615

Copyright | SaferWorldbyDesign 2022