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ChemAxon US User Meeting, San Francisco, April 10-11, 2017
Apr 10, 2017 - Report
Introduction
US ChemAxon users gathered at the Sheraton Fisherman’s Wharf, San Francisco for the annual meeting. A hands-on workshop and biomolecule forum took place in the morni…
Similarity implicated exploration of the fragment galaxy
Mar 8, 2017 - PosterFragment space is a marginal subgroup of the druggable universe of chemical entities considering its population. However, it spans astonishingly high number of structures. GDB-13, the lar…
Escape from 'availability bias' in compound design
Jun 12, 2017 - PosterSmall molecule design is an information demanding activity, since all relevant knowledge is to be accessible within a single space and requires synchronized application of computational m…
ChemAxon’s MadFast Similarity Search
Apr 11, 2017 - PresentationMadFast is a new innovative product for blazing fast in-memory similarity searches of large chemical sets – processing compound sets with hundreds of millions of sizes.
This presentatio…
Ultra MadFast Chemical Similarity Search Tool
Mar 29, 2017 - WebinarMadFast is a new innovative product for blazing fast in-memory similarity searches of large chemical sets – processing compound sets with hundreds of millions of sizes.
During the M…
ChemAxon's MadFast Similarity Search
Sep 14, 2016 - PresentationMadFast is an ongoing development effort to provide useful tools for similarity based search, overlap analysis and clustering. I would like to give a short introduction on the current sta…
Fast similarity searching – making the virtual real
May 24, 2016 - PresentationSimilarity searching is a key component of many chemoinformatic processes including compound collection design, compound clustering and lead hopping. We have command-line tools for bespok…
ChemAxon European User Meeting, Budapest, May 9-11, 2017
May 9, 2017 - In Pressis used as structure editor in the system. Plexus Design is used for enumeration. A shopping list can be constructed.
Marvin Live is customizable and versatile but Fredrik made three sugg…