alvaRunner is a software tool 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. Without the need of any other software tool, alvaRunner calculates the descriptors and fingerprints needed in order to apply the given QSAR/QSPR regression and classification models.
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 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
alvaRunner can be purchased on our website and the software is delivered by a safe download procedure. Contact us by email or with the form below, to request a quotation or for further details about licensing/pricing schemes.
alvaRunner is available with academic or commercial licenses.
Academic licenses are provided to universities and research institutions, under such licenses alvaDesc can be used for any research from which any resulting intellectual property remains in the public domain, but any commercial use is forbidden. Academic licenses are permanent, and the user has no access to any major software update, and access to minor updates only for the first year.
Commercial licenses are provided as rent licenses with two options:
- Single: the software can be installed only on a single computer.
- Site: the software can be installed on any computer at a specific research site.
Contact us for further details on licenses.