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Synthesis of new chemical entities
is a difficult task that requires the expert knowledge
of a well-trained chemist. Over the last decade, the increasing
demand for new chemical compounds is pressuring chemists
to increase their productivity.
In such a demanding environment, computer-assisted synthesis
design can provide a valuable support to experts. These
applications provide fast and reliable suggestions on
synthesis pathways. |
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Retrosynthetic Analysis |
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| WODCA
provides synthesis design solutions for organic compounds.
This application relies on a retrosynthetic approach to
provide acceptable synthetic pathways. By identifying
strategic bonds in the product, WODCA suggests suitable
precursors. Retrieval in reaction databases shows the
viability of retrosynthetic steps and provides
experimental conditions. This procedure can
be applied recursively until commercially
available starting materials are identified. |
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Synthetic accessibility |
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| SYLVIA
provides a powerful method to rapidly evaluate the synthetic accessibility of chemical compounds
and to prioritize thousands of structures according to their synthetic complexity, e.g., those
generated by de novo design experiments or stored in large virtual compound libraries. Thus,
SYLVIA links the areas of computer-aided
molecular design, chemoinformatics and synthetic chemistry. |
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SYLVIA
is available as .
Pipeline Pilot is distributed by SciTegic, Inc., San Diego, CA, USA.
For more information please visit . |
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