One program with multiple in silico tools for approaching complex risk assessments using a weight of evidence approach.

FlexFilters Methodology

The FlexFilters platform enables the user to execute and integrate various computational toxicology tasks including read-across, molecular fragment handling, descriptor calculations, QSAR modeling, and predictions.

Endpoints and Models

Evaluate the following endpoints with QSAR Flex:

Carcinogenic Potency of N-Nitrosamines more

Molecular Properties


Supporting Evidence
Data Curation

Curation of chemical data is a crucial starting step in any workflow and is carried out in QSAR Flex using the DataKurator tool.

Annual License

for routine testing needs
  • Unlimited Queries
  • Yearly Renewal
  • Local Installation
  • Software Updates Included
Best Value


for minimal testing needs
  • Results and Reports Provided
  • Optional Expert Review
  • No Installation Required

License packages are customized to meet the needs of the user. Factors that affect pricing include length of license, number of endpoints, and number of users. Please contact us to request a quote.

Related Research

Search for surrogates based on whole structure similarity or localized, fragment-based similarity.

Batch processing for analog-based assessments.

Analyze surrogate similarity using the Cross-Similarity Matrix.

Investigate experimental data of surrogates.

Now available in QSAR Flex!


Determine AI Values for N-Nitrosamines using the Carcinogenic Potency Categorization Approach