From owner-chemistry@ccl.net Mon Feb 22 01:06:01 2021 From: "steve heller steve_-_hellers.com" To: CCL Subject: CCL: NIH Virtual Workshop on InChI, March 22-24,2021 Message-Id: <-54284-210220164700-19151-9d6NFW8w/jE6SpVH3ag3Gw**server.ccl.net> X-Original-From: "steve heller" Date: Sat, 20 Feb 2021 16:46:59 -0500 Sent to CCL by: "steve heller" [steve]![hellers.com] Click to Register for the NIH Virtual Workshop on InChI, March 22-24, 2021 https://nih.zoomgov.com/meeting/register/vJItfu- rpzIvGOoCM9pv4CdJRW06rEt9ULQ A major theme emerging from the December 2020 NIH Workshop on Ultra Large Chemistry Databases is the essential role of the IUPAC International Chemical Identifier (InChI) in our ability to link and query across large and diverse chemistry data resources. Therefore, we now seek to bring the chemistry community together for an update on the development of the InChI and a discussion of its use in chemistry, biochemistry, and related research domains, at the NIH Virtual Workshop on InChI, March 22- 24, 2021. Speakers will report on developments in the InChI field, usage of InChI in their organization, as well as challenges and areas not yet covered by InChI. The virtual workshop is scheduled for three half-days on March 22-24, from 11 AM- 3PM EST and will include short talks and panel discussions. Registration is free. Preliminary list of speakers: Steve Heller NLM/NCBI/PubChem Project A Brief History of InChI Ray Boucher InChI Trust/Wiley The IUPAC Chemical Structure Standard Vision and Future Gerd Blanke StructurePendiumTechnologies GmbH Reaction InChI (RInChI) - What's Next? Leah McEwen Cornell University MInChI Marc Nicklaus NCI, NIH Tautomers in InChI Bob Belford UA Little Rock InChI Open Education Resource (OER) Jonathan Goodman University of Cambridge InChI with Markush Variations Iseult Lynch Univeristy of Birmingham Towards an InChI for Nanomaterials Jeremy Frey University of Southampton Linking the Physical and Digital: QR Codes and the InChI Markus Sitzmann FIZ Karlsruhe The InChI Resolver and its Protocol Richard Kidd RSC/InChI Trust Towards Open-source Development for InChI Yulia Borodina FDA Usage of InChI in SPL Substance Indexing files Lutz Weber OntoChem GmbH Using InChI and RInChI for Registering Compound and Reactions Extracted from Literature Istvn ri ChemAxon Integrating InChI and RInChI Native Libraries into Java Applications Patricia Bento EMBL-EBI InChI Applications in ChEMBL Peter Linstrom NIST Practical Applications of InChI John Mayfield NextMove Software Data Compression of InChIKeys and 2D Coordinates Roger Sayle NextMove Software InChI on Wikipedia: Why Many Compounds Have More Than One InChI Tony Willams EPA The CompTox Chemicals Dashboard and Using InChI as a Mapping Identifier Connor Coley MIT The Open Reaction Database (ORD) Initiative for Standardizing and Sharing Organic Reaction Data John Irwin UC San Francisco How ZINC Uses InChI Mitch Miller NCATS Global Substance Registration System: Extending the Concept of InChiKey to Other Substances Greg Landrum ETH Zurich Using InChI, and bits of InChI, from within the RDKit We hope to see you at the workshop! Steven Heller, Ph.D. Chemistry Group, Information Engineering Branch National Center for Biotechnology Information, NIH Marc Nicklaus, Ph.D. Computer-Aided Drug Design Group Center for Cancer Research, National Cancer Institute, NIH Evan Bolton, Ph.D. Chemistry Group, Information Engineering Branch National Center for Biotechnology Information, NIH Noel Southall, Ph.D. Division of Preclinical Innovation National Center for Advancing Translational Sciences, NIH From owner-chemistry@ccl.net Mon Feb 22 15:23:01 2021 From: "Anatoli Korkin korkin++nanoandgiga.com" To: CCL Subject: CCL: Webinar on the future of materials science Message-Id: <-54285-210222143620-24147-p40o42lPdD+rB7F+FrnMQg(!)server.ccl.net> X-Original-From: "Anatoli Korkin" Date: Mon, 22 Feb 2021 14:36:18 -0500 Sent to CCL by: "Anatoli Korkin" [korkin:+:nanoandgiga.com] Webinar on a future of materials science Speakers: Mubashir Mansoor, Mehya Mansoor & Maryam Mansoor - Istanbul Technical University (ITU) Host : Anatoli Korkin - Arizona State University & Nano and Giga Solution Date: 28 March 2021 Time: 5pm Istanbul/Moscow time (10 am EST) We are on a brink of a new age in the history of new materials discovery. Just like all pervious historical ages, which have forever changed our lifestyle, we have entered a new era of atomic scale materials design, an age of unprecedented acceleration in discovery of innovative materials. Join us for a webinar on the topic of: Materials Revolution and the Potentials of Density Functional Theory for Materials Design at the Atomic Scale. The speakers will share their experience in design of solid state materials with desired optical properties and their vision of the future of materials science. The webinar will start series of presentation in the framework of Atomic Scale Design Network, informal community of scientists and educators. Duration: 45 min presentation followed by 15 minutes of live Q&A. Zoom registration link: https://us02web.zoom.us/webinar/register/WN_lBQXOroYQBKfFvXiMIu6dQ We look forward to seeing you at the webinar. Atomic Scale Design Network www.asdn.net From owner-chemistry@ccl.net Mon Feb 22 16:19:00 2021 From: "Abe Wang awang**collaborativedrug.com" To: CCL Subject: CCL: Free webinar: Identifying Human Protein Targets for COVID-19 Treatment Message-Id: <-54286-210222161350-13694-LzwNB+FB1XBPevkBFv2N0w#,#server.ccl.net> X-Original-From: "Abe Wang" Date: Mon, 22 Feb 2021 16:13:49 -0500 Sent to CCL by: "Abe Wang" [awang-x-collaborativedrug.com] You are invited to a free webinar hosted by Collaborative Drug Discovery on March 18. UCSF professors Brian Shoichet and Nevan Krogan will discuss their work in mapping out virus-human protein interactions, and the subsequent identification of known drugs that exhibit antiviral activities by targeting human proteins. More information in the link below. Identifying Human Protein Targets for COVID-19 Treatment March 18th at 9AM (PT), 12-noon (ET) and 16:00 (GMT) Register here: https://info.collaborativedrug.com/2021-q1-scientific-webinar