InChI Tag: Mixtures (MInChI)
10 posts
Online mixtures demo, with MInChI generator Cheminformatics 2.0 Blog Post, Alex M. Clark The above blog goes over how to use the MInChI Demo MInChI Demo
InChI extension for mixture composition Description: This project proposes to encode chemical composition of mixtures within the IUPAC International Chemical Identifier (InChI). This innovation will extend the utility of the InChI as a general purpose identifier of chemicals and chemical systems beyond indexing by individual compounds. The ability to chemically […]
Mixtures InChI: A story of how stadards drive upstream products Alex M. Clark & Leah R. McEwen NCI Virtual Workshop on international Chemical Identifiers, March 22, 2021 Video Presentation Presentation
Mixtures as first class citizens in the realms of informatics Alex M. Clark, Collaborative Drug Discovery Cambridge Cheminformatics Network Meeting February 10, 2021 YouTube recording (starts at 1:06) Slideshare Slides
Mixtures: Informatics for formulations and consumer products Leah R. McEwen & Alex M. Clark Presentation to the Royal Society of Chemistry Formulation 4.1 https://www.formulation.org.uk/f4p1programme/253-past/2020/form4p1/783-form4p1-clark.html (Video) Slides: https://www.slideshare.net/aclarkxyz/mixtures-informatics-for-formulations-and-consumer-products
Capturing Mixtures “Bringing Informatics to the World of Practical Chemistry” Recorded live December 19, 2019 CDD Bault Webinar https://www.collaborativedrug.com/recorded-cdd-webinar-capturing-mixtures-bringing-informatics-world-practical-chemistry/ Chris Jakober, Leah McEwen and Alex Clark Slides and Video Available at CDD VAULT Webinar Summary Our industry has been using cheminformatics to support drug discovery for decades, leveraging formats […]
CAPTURING MIXTURES ” BRINGING INFORMATICS TO THE WORLD OF PRACTICAL CHEMISTRY” Recorded live December 19, 2019 Hosted and presented by the Collaborative Drug Discovery (CDD) Vault Watch our webinar featuring Dr. Chris Jakober (Johns Hopkins), Leah McEwen (Cornell), and Dr. Alex Clark (CDD) to hear about our work toward new […]
Capturing mixture composition: an open machine-readable format for representing mixed substances Alex M. Clark, Leah R. McEwen, Peter Gedeck & Barry A. Bunin Journal of Cheminformatics volume 11, Article number: 33 (2019) Abstract: We describe a file format that is designed to represent mixtures of compounds in a way that […]