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To take the full advantage of the training session it is highly recommended that you bring along your own laptop where OECD Toolbox can be installed. This will allow Oasis-LMC group to clear all possible compatibility issues prior to the session. It is recommended that your system meets the following hardware/software requirements: |
|
FULL Installation: (With comlete 3D information cache) | |
| OS: | Microsoft Windows 2000, XP, Vista or newer |
| CPU: | Pentium-4 at 2GHz or faster processor |
| RAM: | 1GB of RAM |
| HDD: | 8GB free hard drive space |
Light Installation: (With no 3D information cache) | |
| OS: | Microsoft Windows 2000, XP, Vista or newer |
| CPU: | Pentium-4 at 2GHz or faster processor |
| RAM: | 512MB of RAM |
| HDD: | 3 GB free hard drive space |
The difference between full and light version is that in the light version does not include pre-calculated cache for 3D parameters (such as diameters, volumes, surfaces, etc.), quantum chemical parameters (such as energy of molecular orbitals, atomic charges, bond orders, electronegativity, etc.) and predictions via EPISUITE models (such as log Kow, water solubility, rate of biodegrdadtion, BCF, etc.). All these parameters will be calculated on the fly if the executed functionality needs their values. In this respect, the light version is fully functional version and it provides the same functionality and results as the full version but some of the performances will hampered. While the predictions by EPISUITE models could take approximately few seconds per chemical, the 2D-3D migration and quantum-chemical calculation for a single conformer by MOPAC 93 could take hours. In this respect predictions by (Q)SAR models based on quantum-chemical descriptors (as well as building of QSAR models with 3D parameters) with the light version will be a time consuming process. | |