Skip to content

Cheminformatics 2.0

A blog about chemical information software for next generation computing environments.

  • Home
  • About
  • Archives

Recent Posts

  • Coordination InChI for inorganics: now with stereochemistry 18-Oct-2020
  • Online mixtures demo, with MInChI generator 11-May-2020
  • Adding in anti-viral model for COVID-19 predictions 2-Apr-2020
  • More cheminformatics from quarantine: reaction transforms and atomic Bayesians 29-Mar-2020
  • Cheminformatics from quarantine: some interactive COVID-19 resources 28-Mar-2020
  • Mapping drug target ontologies in BioAssay Express: a narrow use case for Excel 19-Mar-2020
  • New Molecular Materials Informatics website 16-Jan-2020
  • InChI for inorganics 10-Sep-2019
  • FAIR Data Hackathon / BioAssay Express 8-Apr-2019
  • Overlapping biology: Cell Line Ontology and BRENDA 5-Dec-2018

Twitter Feed

  • My next webinar, more about mixtures: collaborativedrug.com/cdd-presenting… 6 hours ago
  • My presentation about mixtures to the Cambridge Cheminformatics meeting February 2021: youtube.com/watch?v=0ILc0o… (fas… twitter.com/i/web/status/1… 1 week ago
  • RT @Eikonizo: Today we announce our alliance with @OtsukaUS. We are thrilled to work with this experienced MSRD team to advance potential t… 2 weeks ago
  • Slides from my Cambridge cheminformatics meeting, about mixtures & informatics thereof: slideshare.net/aclarkxyz/mixt… 3 weeks ago
  • RT @AndreasBenderUK: Cambridge Cheminformatics Meeting, 10 February 2021, 4pm (UK time) - free, online, open to all! Join us and circulate… 1 month ago
Follow @aclarkxyz

RSS Molecular Materials Informatics

  • An error has occurred; the feed is probably down. Try again later.

Blogroll

  • Bio <-> Chem
  • ChemConnector Blog
  • Collaborations Pharmaceuticals
  • Collaborative Chemistry
  • In the Pipeline
  • Macs in Chemistry: Mobile science
  • Master Organic Chemistry
  • Noel O'Blog
  • SciMobileApps
  • Signals: Metamolecular
  • Useful Chemistry / Open Notebook Science

Archives

  • October 2020
  • May 2020
  • April 2020
  • March 2020
  • January 2020
  • September 2019
  • April 2019
  • December 2018
  • November 2018
  • October 2018
  • September 2018
  • August 2018
  • July 2018
  • June 2018
  • May 2018
  • February 2018
  • January 2018
  • December 2017
  • November 2017
  • September 2017
  • July 2017
  • June 2017
  • March 2017
  • February 2017
  • January 2017
  • December 2016
  • November 2016
  • October 2016
  • September 2016
  • August 2016
  • May 2016
  • March 2016
  • February 2016
  • January 2016
  • December 2015
  • November 2015
  • September 2015
  • August 2015
  • July 2015
  • June 2015
  • May 2015
  • April 2015
  • March 2015
  • February 2015
  • January 2015
  • December 2014
  • November 2014
  • October 2014
  • September 2014
  • August 2014
  • July 2014
  • May 2014
  • March 2014
  • February 2014
  • January 2014
  • December 2013
  • November 2013
  • October 2013
  • September 2013
  • August 2013
  • July 2013
  • June 2013
  • May 2013
  • April 2013
  • March 2013
  • February 2013
  • January 2013
  • December 2012
  • November 2012
  • October 2012
  • September 2012
  • August 2012
  • July 2012
  • June 2012
  • May 2012
  • April 2012
  • March 2012
  • February 2012
  • January 2012
  • December 2011
  • November 2011
  • October 2011
  • September 2011
  • August 2011
  • July 2011
  • June 2011
  • May 2011
  • April 2011

Month: December 2018

Overlapping biology: Cell Line Ontology and BRENDA

One of the pitfalls of using multiple public ontologies is that sometimes there are two teams doing great work that overlaps, but neither is a superset of the other. This has come up for the BioAssay Express project, which uses both the Cell Line Ontology and BRENDA cells & tissues.

Continue reading →
Comment 5-Dec-2018 Dr. Alex M. Clark
Blog at WordPress.com.
Cancel

 
Loading Comments...
Comment
    ×