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Download Alvascience alvaRunner 2.0.4 QSAR/QSPR regression
alvaRunner software crack with license it is a product of Alvascience to apply Quantitative Structure Activity/Property Relationship (QSAR/QSPR) regression and classification models on a set of molecules. These models can be used to predict the biological, physicochemical and environmental properties of chemicals.
alvaRunner is provided both as an easy-to-use command line tool and as an intuitive graphical interface. Using its interface, for every imported molecule, you can see the predicted targets and whether the molecule is inside or outside the defined model’s Applicability Domain and you can sort and filter any column by right clicking the corresponding column header.
The QSAR/QSPR models need to be created using alvaModel and they can be deployed, for example to allow other people: in the scientific community to reproduce your work (e.g., scientific paper)
in you organisation to predict a certain property.
alvaRunner provides a functionality to evaluate a single prediction through a graphical interface called prediction details.
The prediction details window includes three different sections:
- the target molecule and a grid including some information about the prediction
- atomic and fragment contributions (for all regression models except the consensus ones) KNN neighbours (for KNN models)
- The atomic and fragment contributions are two visual representations of the contribution of atoms for the atomic contributions, and framework and side chains for the Fragment contribution
Alvascience alvaRunner software details:
- Supported operating systems: Windows x64
- File Size: 20 MB
- Crack: Full Crack
- License type: single user and lifetime
