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A Markush structure represents a group of related chemical compounds, commonly used in patents, structural elucidation, metabolite identification, and mixture representation. It allows variations in substituents, positions, frequencies, and homologies, streamlining patent claims and ensuring broad protection. Learn how ChemSketch makes it easy to draw and enumerate Markush structures.

Major update to Katalyst D2D will provide support for process scale-up and material characterization in pharmaceutical development Toronto, CANADA (October 23, 2025)—ACD/Labs, an informatics company that develops and commercializes software in support of digitalized R&D, today announced a new release of Katalyst D2D®, the industry-leading software for workflow digitalization and data management in chemical and...

Toronto, CA (December 1, 2008)—Advanced Chemistry Development, Inc., (ACD/Labs) has released its latest version of specialized software for the pharmaceutical, biotech, and chemical industries. ACD/Labs Version 12 includes new features and capabilities developed in response to the needs of the industry and our customers. View the full list of new features and products at www.acdlabs.com/whatsnew/....

Hungarian drug manufacturer deploys suite of software tools that assist with structure-based drug design at one of its research facilities in Budapest. Toronto, Canada (January 8, 2009)—Egis Pharmaceuticals, one of the leading pharmaceutical companies in Central Europe, sought to increase the efficiency of its Chemical Research Division, and has now done so by implementing software...

This article discusses how using the mean of the LRI values predicted by RapidMiner and ACD/ChromGenius, in combination with accurate mass data, could enhance the confidence level for compound identification from the analysis of complex matrixes; the goal being to reduce the list of putative candidates to a reasonable number that can be obtained and...

InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.). InChIKey is designed to be a...

A biased elucidation is an elucidation where the chemist makes certain assumptions about the data at hand based on a previous experience(s) and not deviating from it. Depending on the elucidation, it can be a good thing or a very bad thing. As a good thing, it can speed up the time spent on an...