ADMET Predictor® User Manual
ADMET Predictor® User Manual
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XTK File

XTK File

Beginning with version 8.0 and going forward, XTK (.xtk) is the default format for saving work from ADMET Predictor sessions. It is a compact, binary and machine readable format. You can use following menu options to save your session as an .xtk file

  1. FILE>>Save As

  2. FILE>>Export

The Export option provides an extra feature wherein you can select specific Compounds or Classes of interest to export to a .xtk file.

There are three principal advantages to the XTK format:

  1. This file format requires significantly less disk space than the SD/SMILES format, and requires less time to re-open. Thus even when ADMET Predictor is used simply as a molecule browser, with no classes, R tables, etc. being explicitly generated, it is still useful to save a spreadsheet as a XTK file rather than to use the same SD/SMILES file over and over again.

  2. If you elect to generate classes, R tables, etc. explicitly from the data, either by manual selection or by detecting common scaffolds automatically, this information is saved in an XTK file and will not have to be regenerated later.

  3. The export option provides an easy way to extract subsets of desirable compounds from a data set. You simply selects the molecules he wishes to retain, exports them to a XTK file, and re-opens that file. All unselected molecules and their attributes will have been eliminated.