The user interface of QDB Editor has two main parts:
The toolbar provides quick access to the following operations:
It creates a new QDB archive.
It opens an existing QDB archive.
It will quit the QsarDB Editor.
Import data to the QDB archive. It supports the following file types:
Save changes that were made to the QDB archive.
Make a copy of your QDB archive.
Create a ZIP file with the QDB archive content.
The editor panel includes a separate tab for each component of the QDB archive:
Archive tab characterizes the QDB archive as a whole.
Compounds tab lists chemical compounds in the QDB archive. Chemical compounds are categorized as molecular compounds, salts, intermetallic compounds or complex compounds.
Property represents an experimentally measured parameter(s) that are dependent varibles in the QSAR models. The same term applies both for biological activities, physicochemical properties, or any other experimentally measured response types.
Descriptors tab represents an experimental or theoretically calculated parameter(s) that are used as an independent variable in QSAR models.
Models tab represents a mathematical relationship(s) that relates a Property (dependent variable) with one or more Descriptors (independent variables).
Predictions tab represents Model evaluation results for a set of Compounds during the training or validation or testing exercises.
Automated tests to check the quality of QDB archives.
Tools to visualize the content of the QDB archive.