InChI Tag: Video
25 posts
MolView https://molview.org/ is a web app developed by Herman Bergwerf that uses semantic identifiers like the InChI to connect to chemical information in the cloud. If you go to any molecule and access the “information card” under tools, you will see the InChI and InChI key for that molecule. The […]
Using MolView.org to check your structures in ogranic chemistry Molview is a program developed by Herman Bergwerf that uses InChI and other formats to connect to a variety of web resources. This post is a video created by Wes LeBlanc and is directed towards organic chemistry students. At 52 seconds […]
Progress towards “Large Molecule” support with InChI Evan Bolton,Ph.D. NCI NIH Virtual Workshop on InChI 2021-03-22 Direct Link (Alows you to activate “Full Screen mode” and open as a single slide show)
Towards an InChI for Nanomaterials Presentation at NIH NCI Virtual Workshop on International Chemica Identifier Iseult Lynch, University of Birmingham 2021-03-22 Note: You can download the presentation files in the information box below.
PubChem: Advancing chemical information through InChI Evan Bolton InChI in the Wild: Celebrating Over 20 years of InChI Development in Memory of InChI Developer Igor PletnevFall 2022 ACS National Meeting2022-08-21 Abstract: The PubChem project (https://pubchem.ncbi.nlm.nih.gov) has been a long time user and contributor to the InChI project. The impact of the InChI project on […]
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 […]
Reaction InChI (RInChI) – What’s next Gerd Blanke, March 22, 2021 Powerpoint presentation at NIH InChI workshop, March 22-24, 2021 https://cactus.nci.nih.gov/presentations/NIHInChI_2021-03/NIHInChI.html
A Short History of the InChI Project Direct Link allows you to open in full screen mode Stephen Heller https://cactus.nci.nih.gov/presentations/NIHInChI_2021-03/Day_1_Stephen_Heller-NIH-Zoom-3-22-21.pptx PowerPoint Presentation of the NIH Virtual Workshop on InChI March 22, 2021
Tautomers in InChI NIH InChI Workshop, March 22, 2021 ? https://cactus.nci.nih.gov/presentations/NIHInChI_2021-03/Day_1_Nicklaus_Tautomerism_2021-03-21A.pdf Presentation by Marc C. Nicklaus Redesign of Handling of Tautomerism for InChI V2 IUPAC Project 2012-023-2-800
InChI: Measuring the Molecules 2020 AIS3D Summer seminar series presentation by Jonathan Goodman, University of Cambridge
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 […]
Abstract IUPAC Standards Online is a database built from IUPAC’s (The International Union of Pure and Applied Chemistry) standards and recommendations, which are extracted from the journal Pure and Applied Chemistry (PAC). The International Union of Pure and Applied Chemistry (IUPAC) is the organization responsible for setting the standards in […]
Webinar: Solving the issues in standardisation of stereochemical representations from Chemistry World on Vimeo. Sponsored by Bio-Rad Laboratories Abstract: Learn about technology that solves the issue of interpreting 3D stereochemical information implied in 2D structure representations.
A Brief Introduction to SMILES and InChI Project for Cheminformatics Fall 2012. Part 2/2. Presentation on encodings, SMILES and InChI by Scott Wiedemann
This presentation is a part of Google Tech Talks which was added to the GoogleTalksArchive on August 22, 2006. The original presentation date took place on November 2, 2006. ABSTRACT (Imported From YouTube Source) The central token of information in Chemistry is a chemical substance, an entity that can often […]
An Update on the Open Source InChI Project Stephen Heller and Steve Stein Abstract: Back in November when Steve Stein & I came to Google to give talk on the Open Source InChI project we found the feedback from the Google people very helpful. We have now developed the hash […]
Registration system of mcule: InChI is the key 2012 San Diego ACS presentation Mcule provides virtual screening services on the web to help identifying novel drug candidates by screening different databases. For these databases, it is essential to have a robust molecule registration system not depending on different drawing […]
InChI Trust Youtube Channel What on Earth is InChI? The Birth of InChI. The Googlable InChIKey InChI and the Islands
This submission shows you how to create a smart spreadsheet with Google Sheets that links an IUPAC name to a chemical’s PubChem landing page. You may click here to get a copy of this sheet. This particular sheet uses the Centre for Molecular Informatics OPSIN (Open Parser for Systematic IUPAC […]