From owner-chemistry@ccl.net Wed Nov 20 13:12:00 2024 From: "Andrea Mauri andrea.mauri%%alvascience.com" To: CCL Subject: CCL: Correction Webinar: Molecular Descriptors Generation with alvaDesc Message-Id: <-55252-241120031223-25773-qaeKozl9AY4FkotT/B5GBQ-x-server.ccl.net> X-Original-From: "Andrea Mauri" Date: Wed, 20 Nov 2024 03:12:21 -0500 Sent to CCL by: "Andrea Mauri" [andrea.mauri ~~ alvascience.com] Dear All, I apologize for the confusion in my previous email regarding our upcoming webinar. It included incorrect details for the date, time, and link. Please find the updated and accurate information below. We hope youll be able to join us! https://events.teams.microsoft.com/event/f44d86d5-0038-4e32-b8df- d5fb70c86aa6:_:a2414e1c-7a0c-4837-a9ca-ee35b0412683 Wednesday, November 27, 2024 04:00 PM | (CEST) Amsterdam, Berlin, Bern, Rome, Stockholm, Vienna | 1 hr ---------- I am glad to share the free webinar hosted by Alvascience: Molecular Descriptors Generation with alvaDesc. AlvaDesc is a tool designed for the seamless calculation of a wide range of molecular descriptors, molecular fingerprints, and user-defined structural patterns (Mauri, A. (2020). alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints. In K. Roy (Ed.), Ecotoxicological QSARs (pp. 801 820). Humana Press Inc. https://doi.org/10.1007/978-1-0716-0150-1_32). Webinar Highlights: Molecular descriptors calculation New 3D coordinates generation Molecular fingerprints calculation Structural patterns identification with SMARTS syntax Data analysis of calculated descriptors Integration with KNIME and Python From owner-chemistry@ccl.net Wed Nov 20 13:47:01 2024 From: "Dr. Robert C. Mawhinney dr.robert.mawhinney()gmail.com" To: CCL Subject: CCL: Webinar: Molecular Descriptors Generation with alvaDesc Message-Id: <-55253-241120090239-906-D5Xbr2dKxWzVT9JZE8IaRg%server.ccl.net> X-Original-From: "Dr. Robert C. Mawhinney" Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=utf-8 Date: Wed, 20 Nov 2024 09:02:17 -0500 Mime-Version: 1.0 (Mac OS X Mail 16.0 \(3776.700.51\)) Sent to CCL by: "Dr. Robert C. Mawhinney" [dr.robert.mawhinney[]gmail.com] To bad the article is behind a pay wall... > On Nov 19, 2024, at 3:06 AM, Andrea Mauri andrea.mauri%a%alvascience.com wrote: > > > Sent to CCL by: "Andrea Mauri" [andrea.mauri[]alvascience.com] > Dear All, > > I am glad to share the free webinar hosted by Alvascience: Molecular > Descriptors Generation with alvaDesc. > > AlvaDesc is a tool designed for the seamless calculation of a wide range of > molecular descriptors, molecular fingerprints, and user-defined structural > patterns (Mauri, A. (2020). alvaDesc: A Tool to Calculate and Analyze Molecular > Descriptors and Fingerprints. In K. Roy (Ed.), Ecotoxicological QSARs (pp. 801 > 820). Humana Press Inc. https://doi.org/10.1007/978-1-0716-0150-1_32). > > Webinar Highlights: > Molecular descriptors calculation > New 3D coordinates generation > Molecular fingerprints calculation > Structural patterns identification with SMARTS syntax > Data analysis of calculated descriptors > Integration with KNIME and Python > > Wednesday, March 29, 2023 > 09:30 AM | (CEST) Amsterdam, Berlin, Bern, Rome, Stockholm, Vienna | 1 hr > > Please register using the following link: > https://events.teams.microsoft.com/event/b7a76c8e-0662-457f-b229- > 2610293d0c34*a2414e1c-7a0c-4837-a9ca-ee35b0412683 > > Best regards, > Andrea Mauri> > From owner-chemistry@ccl.net Wed Nov 20 14:21:01 2024 From: "Robert Q. Topper topper*cooper.edu" To: CCL Subject: CCL: Free online Virtual Winter School on Comput. Chem. 27-31 Jan 2025 Message-Id: <-55254-241120132145-27982-0TPh7aCun2NxYKmI5//6Yg\a/server.ccl.net> X-Original-From: "Robert Q. Topper" Date: Wed, 20 Nov 2024 13:21:44 -0500 Sent to CCL by: "Robert Q. Topper" [topper^cooper.edu] Dear Colleagues, Registrations are now open for the 11th Virtual Winter School on Computational Chemistry which will take place 27th-31st January 2025. Full information and the registration page can be found here: www.winterschool.cc Registration is free for all participants. The Virtual Winter School on Computational Chemistry covers a broad range of topics in computational and theoretical chemistry. The extended lecture format allows ample time to cover both introductory material on topics as well as the latest research developments. There will also be two hands on workshops on how to use quantum chemical and dynamics programs, including ORCA and xTB this year. Participants can also submit a single figure presentation (SFP) and give a short presentation of their work and there will be two panel sessions with the speakers to discuss other topics in computational chemistry. Full details are on the website. Confirmed speakers for the 2025 edition of the VWSCC include: Francesca Baletto (University of Milan, Italy) Jack Simons (University of Utah, USA) Edit Mtyus (Etvs Lornd University, Hungary) Chrif Matta (Mount Saint Vincent University, Canada) Sason Shaik (The Hebrew University of Jerusalem, Israel) Farnaz Shakib (New Jersey Institute of Technology, USA) Susi Lehtola (Helsinki University, Finland) Norah Hoffman (New York University, USA) Valentina Erastova (University of Edinburgh, UK) Gian Pietro Miscione (Universidad de Los Andres, Colombia) Abhishek Kumar Sharma (The Cooper Union for the Advancement of Science and Art, USA) Tucker Carrington (Queen's University, Canada) Amber Jain (Indian Institute of Technology, India) We look forward to welcoming you at the 2025 event. Robert Q. Topper, on behalf of the Virtual Winter School on Computational Chemistry Organising Committee Professor of Chemistry The Cooper Union School of Engineering 41 Cooper Square New York NY UNITED STATES 10003 http://engfac.cooper.edu/topper