Reporting & Dashboarding
Reporting and sharing of data at different level is a very important aspect in toxicology.
For example, analysis of predictive toxicology results and collaboration within toxicology departments is facilitated with interactive, drill-down reports. These reports can then also be configured to display or restrict details of information depending on access level. Access of information to users outside of toxicology departments can therefore be controlled.
Reports from production facilities on the other hand assist in tracking and documenting the fate of compounds, assisting regulatory compliance.
Materials Safety Datasheets can be prepared, as well as queried within the ECT solution, using text as well as chemistry understanding of the underlying platform.
Predictive Analysis reports
The ECT solution offers a interactive summary reports as well as pdf reports of calculated physical properties as well as ADME and toxicology predictions.
The results of these predictions can be displayed in a number of intuitive graphical forms to guide decision making, for example plotting predicted values against acceptable limits based on business rules. Depending on configuration and desired user permissions, easy access to modify business rules can be added to any report.
Production facility dashboard
- The ECT solution includes dashboards that can for example track specific compounds in the effluent from a series of production facilities. For each facility we have a history tracking the concentration of the specific compound over time. Each data point shows the average concentration sampled over the hour, other compounds that are relevant to the end-point being measured, and result of the instrument diagnostics run during the hour. Showing other compounds that contribute to this endpoint is a critical and differentiating feature of the Accelrys ECT solution. Because the solution understands chemistry, we can configure the protocol to identify and include any compound that might contain a chemistry of interest. For example, instead of simply looking for sulfate, the Accelrys ECT solution can easily look for any sulfate containing compound, and compute the appropriate molar volume and effective concentration.
- All data can be easily plotted on dynamic graphs to quickly inspect results. Drill-down capabilities allow looking at individual spectra or other detailed data incorporated into the system
- Reduce the risk of lawsuits or bad-publicity by facilitating strict adherence to environmental guidelines through real-time data integration and analysis
Materials Safety Data Sheets
- Searching MSDS’s, internal and external databases, or preparing MSDS’s and reports for regulatory bodies are all streamlined using the Accelrys ECT solution. The Accelrys solution goes far beyond simple MSDS lookup and reporting to understand your chemistry and provide interactive analysis of various products. The Accelrys solution then allows quick and easy comparison of these products to business rules or environmental policies.
