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| SYLVIA |
| Estimation
of the synthetic accessibility of organic compounds. |
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Features |
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| Features |
Description |
| input
file format |
MDL SDFile (incl. Molfile), SMILES,
CTX file |
| output
file format |
MDL SDFile (incl. Molfile), CTX file
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| property |
synthetic accessibility of organic compounds on a scale
from 1 (straightforward synthesis) to 10 (complex and challenging synthesis) using:
- structure-based components: molecular graph, ring and stereochemical complexity
- starting material-based component: similarity to available chemicals
- reaction-based component: frequency analysis on the presence of strategic bonds that are extracted from reaction databases
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| applicability |
broad range of organic chemistry |
| extensibility |
loading of in-house starting material databases (extension or replacement of built-in starting material database) |
| speed |
0.25 s/cpd on a 2.0 GHz workstation (batch version) |
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User Interface
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- Command line interface supporting batch mode
- Component for
- Wizard-driven graphical user interface including
- visualization of chemical structures, synthetic accessibility scores and read-in information
- adjustable color-coding for low, medium and high synthetic accessibility scores
- options for sorting and filtering of compounds
- structure input via file or by a molecule editor
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System Requirements |
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- Microsoft Windows 2000/XP (win32)
- SUSE x86 Linux (release 8/9, kernel 2.4/2.6, AMD64 on request)
- RedHat x86 Linux 8, 9, Enterprise (kernel 2.4/2.6)
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Additional Info |
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Reference
- Boda, K.; Seidel, T.; Gasteiger, J. Structure and reaction based evaluation of synthetic
accessibility.
J. Comp.-Aided. Mol. Des. 2007, 21, 311-325.
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| Downloadable PDFs
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| A demo version is available on request.
Please register yourself for our .
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