SMASH

September 17-20, 2017

Grand Hotel Dino, Baveno, Italy

Related Materials

Related presentations, posters, and scientific talks from this event have been posted here for your reference. Please click the associated link to download.

Title Author Link
A Review of Computer Assisted Structure Elucidation (CASE) MethodologyD. Adams, D. ArgyropoulosDownload
Analysis of Mixtures by NMR Spectroscopy: Current Workflow Solutions using the ACD/Spectrus PlatformD. Argyropoulos, B. Pautler, S. Golotvin, S. Jahanbakht, V. MikhalenkoDownload
Computer Assisted Structure Elucidation of Two Biflavonoids from the Leaves of Ochna MauritianaG.A. Dziwornu, N.R. Toorabally, M.G Bhowon, S. Jhaumeer-Laulloo, S. Sunassee, A. Moser, D. ArgyropoulosDownload
Generating Unbiased Structural Alternatives for Automated Structure VerificationS. Golotvin, R. Pol, M. Elyashberg, D. Argyropoulos and K. KassamDownload

ACD/Labs NMR Software Symposium: Stairway to Heaven—Steps to your NMR Success

Sunday, Sept. 17th, Hotel La Palma, Stresa, Italy

Join us in Baveno, Italy, during SMASH 2017. Learn about what's new in the upcoming release 2017 of our NMR software, and our new software solution for impurity management. Our symposium will be held at the Hotel La Palma in Stresa (a short boat ride from Hotel Dino). Complete directions will be sent to you prior to the meeting.

Complimentary food and beverages will be provided post-meeting in the hotel's Sky Bar, and each attendee will receive an admit one pass for the Cableway Stresa Mottarone.

Are you involved in drug development? Join us in Milan on Sept. 21st (after SMASH) for Challenges and Solutions in Drug Development—Trends and Innovations in R&D Informatics (hosted by ACD/Labs' distributor in Italy, S-IN).

Time Topic
1:30–1:40 Welcome & Introduction
ACD/Labs Staff
1:40–1:50 What's New in NMR Software from ACD/Labs
Dimitris Argyropoulos (ACD/Labs)
1:50–2:30 ACD/Labs Luminata: Turning data to knowledge
Steve Coombes (AstraZeneca)
2:30–2:50 1H/HSQC-Based Automated Structure Verification as tool for Qualifying New Structures for Library Submissions
Steve Hollis (Amgen)
2:50–2:55 Closing
ACD/Labs Staff

Presentation Schedule

Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions for Structure Elucidation, Verification and Revision
Monday, 9:15–10:50 AM
Alexei Buevich and Mikhail Elyashberg

Poster Schedule

Computer Assisted Structure Elucidation of Two Biflavonoids from the Leaves of Ochna Mauritiana
Poster 79

Comparison of Public Chemical Structure Databases for Structure Dereplication and Elucidation
Poster 80