- Export Data matrix - this is a right click option in the data matrix that allows you to export all what you see on the data matrix (i.e. chemicals, data, profiling results,etc.). You can export a single row or the whole data matrix.
In order to export a single row of the data matrix, you should apply right click over the row which you are interested of and then to select "Export Data matrix" (1) (Figure 1). The current row will be automatically selected in the Matrix export window. Clicking of the Select all (2) button will select all levels of the data matrix and therefore all available information which you see on the matrix will be exported. There are some additional options controlling the exported information (3). Click Export (4) in order to export the information.
- in a SMI or SDF file - this is a right click option in the document tree which allows you to export a text file (with .smi or .sdf extension) with the CAS/Name/SMILES of the chemicals which are currently on the data matrix. Once the file is saved, it could be used later on in Toolbox or in other software.
To do this, just apply right click over the current level of the document tree and select Export >> SMI(Figure 2)