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Newsletter, October 2007
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Today, Molecular Networks Announces the Release of SYLVIA Version 1.0 for the Fast Estimation of Synthetic Accessibility of Organic Compounds |
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SYLVIA provides a powerful method to rapidly evaluate the synthetic accessibility of organic compounds and to prioritize thousands of structures according to their synthetic complexity, e.g., structures 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. SYLVIA ranks chemical compounds on a scale that reflects whether a structure can be synthesized by a straightforward synthesis route or whether it is a complex, challenging synthesis target. The scoring function is based on structure-based components, the similarity to commercially available chemicals and a unique reaction-based component extracted from reaction databases. |
Further Information
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Molecular Networks GmbH Computerchemie - Erlangen - Germany
www.molecular-networks.com -
info|at|molecular-networks.com
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