Gnarus Systems

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Cat-SAR Overview

Structure-activity relationship [SAR] models are powerful tools to investigate the relationship between the chemical structure of a compound and its biological or pharmacological activity.

Our categorical-SAR program— cat‐SAR®—is a computational SAR or in silico toxicity analysis and prediction “expert system.”

cat‐SAR® stands alone from other computerized SAR expert systems in its openness, flexibility, routine for identifying important attributes of biological activity or inactivity and its method for predicting the activity of untested compounds.

cat‐SAR® is completely open with every detail of modeling transparent to the user. Gnarus doesn’t employ “black box” technology.

The cat‐SAR® approach allows the user to select and/or adjust many parameters during the model process from learning set makeup, to selection of types of fragment attributes to consider, to ultimately what numerical or statistical considerations are employed in developing the final model.

The cat‐SAR® approach is also a very data- and information-intensive SAR expert system. During model development and the creation of the final model, all fragments associated with the categories are presented. This leaves the user with an unbiased view of all important features associated with the biological endpoint.

The approach we have taken in developing cat‐SAR® clearly diverges from existing SAR expert systems and is more in tune with modern QSAR techniques. For instance, the user is presented with a number of selectable and adjustable modeling parameters. The notion of having selectable and adjustable modeling parameters facilitates that ability to rigorously explore the relationships between chemical structure and biological activity.

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Consulting Service

Gnarus Systems offers predictive toxicological assessment of chemicals, SAR model development, and virtual screening on an ad hoc basis.

Direct Access

For larger projects, Gnarus Systems can provide users with secure cloud-based access to the cat-SAR expert system along with validated predictive models.

Complete System

Similar to "Direct Access" with the added advantage that users can update/alter exisitng models as well as produce models with user specific data. In this case, users can develop, validate, and use models based on private or proprietary data.