Library

MadFast Similarity Search

May 10, 2017 - Presentation
MadFast 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…
capture

Escape from 'availability bias' in compound design

Jun 12, 2017 - Poster
Small 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…

Fast similarity searching – making the virtual real

May 24, 2016 - Presentation
Similarity 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…
Fragments Conference 2017 poster

Similarity implicated exploration of the fragment galaxy

Mar 8, 2017 - Poster
Fragment 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…

ChemAxon's MadFast Similarity Search

Sep 14, 2016 - Presentation
MadFast 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…

Ultra MadFast Chemical Similarity Search Tool

Mar 29, 2017 - Webinar
MadFast 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 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…

ChemAxon European User Meeting, Budapest, May 9-11, 2017

May 9, 2017 - In Press
is 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…