How fast are the Batch calculations?
The calculation speed of ACD/Labs Batch software is affected by many computer-dependant factors, the most important being: the version of the operating system, the CPU speed, and the amount of RAM. In addition to the computer specifications, the performance will be affected by the complexity of the structures and the type of the calculated property. The table below contains data on ACD/Labs’ 6.0 Batch software run on two Win XP systems. While one may expect a faster performance on SGI and Sun Solaris, the table provides a base indication of the calculation speed for a number of properties and can serve as a reference. The test dataset contains 10,000 structures from the National Cancer Institute Research Resources open NCI database, used without any prior editing. The structures cover a wide variety of contemporary organic compound classes.
