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

Ecotoxicity

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.

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Annual License

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

Consulting

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

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Related Research

2024, Poster, QSAR Flex

‘Relevant’ versus ‘Similar’ Structural Analogs to Support Genotoxicity (Q)SAR Predictions

12 Apr 2024

Structural analogs with experimental data are important for expert review of (Q)SAR model evaluations. Analogs help...

2024, Poster, QSAR Flex

Predicting Nitrosation of Secondary and Tertiary Amines Using Statistical (Q)SAR Models

12 Apr 2024

Since the discovery of the carcinogenic nitrosamine NDMA in pharmaceuticals such as Valsartan in 2018, there...

2024, Poster, QSAR Flex

Examining the Use of Surrogates in Combination with The Carcinogenic Potency Categorization Approach when Establishing Acceptable Intake Limits of N-Nitrosamine Impurities

11 Mar 2024

2023, QSAR Flex, Webinar

Exploring the CPCA Framework: Defining Acceptable Intake for NDSRIs

9 Jan 2024

Discover the latest advancements in establishing acceptable intake limits for NDSRIs through the innovative Carcinogenic Potency...

2023, Publication, QSAR Flex

Fast and Efficient Implementation of Computational Toxicology Solutions Using the FlexFilters Platform

18 Aug 2023

To address static and rigid nature of the current computational toxicology software and aim toward flexible...

2023, QSAR Flex, Webinar

Carcinogenicity Assessment of Nitrosamines: Current Status

19 Jul 2023

Dr. Suman Chakravarti from MultiCASE unveils the latest updates to nitrosamine classification in alignment with the...

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.