Organic Chemistry for Dr Hook

Molecular Networks Inc this week launched SYLVIA, software to rapidly evaluate the synthetic accessibility of any given organic structure and to prioritize thousands of structures according to their synthetic complexity. The company describes SYLVIA as the link between computer-aided de novo molecular design, chemoinformatics and synthetic chemistry.

SYLVIA scores compounds based on structural elements, similarity to commercially available chemicals and a reaction-based component extracted from reaction databases.

No doubt to the irritation of many potentially interested parties you have to purchase a license for SYLVIA, although a free evaluation download is available. Input file format is MDL, SDFile (incl. Molfile), SMILES, and CTX file. No mention of InChI unfortunately. Output is as MDL, SDFile (incl. Molfile), and CTX file. In fact, I couldn’t even find InChI mentioned on the Molecular Networks site, which is odd given this unique identifier’s potential in the field of organic chemistry.

Author: bob投注平台

Freelance science journalist, author of Deceived Wisdom. Sharp-shooting photographer and wannabe rock god.