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ACD/Labs Basel Symposia

September 21-22, 2016
Ramada Plaza, Basel, Switzerland

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.

Life Cycle Management of Impurity Data in Pharmaceutical Development, A. van Wyk (ACD/Labs)

We are pleased to invite you to join us in Basel for two half day complimentary symposia highlighting new solutions and developments from ACD/Labs. Registration is now closed.

Wednesday we will focus on scientific aspects of using ACD/Labs solutions to interpret analytical data and confirm organic structures from spectral and chromatographic information. In the Thursday session we will highlight Enterprise solutions and web-enabled platforms for analytical and chemical knowledge management and in-silico prediction.

Visiting ILMAC 2016? Combine the two events. Our half-day symposia run in parallel with ILMAC, next door to the industrial fair!

Wednesday, 21st September
Time Topic
11:30–12:15 Registration and Complimentary Lunch Buffet
12:15–12:25 Welcome & Introduction
Gabriela Cimpan (ACD/Labs)
12:25–12:50 Where Next in Impurity Resolution?
Andrew Anderson (ACD/Labs)
12:50–13:15 Chromatography Method Development and Optimisation following Quality by Design (QbD) Principals
Shahriar Jahanbakht (ACD/Labs)
Organic Structures from Spectra by Mass Spectrometry (LC/GC-MS)
13:15–13:35 Advances in Structure Identification by Utilising Library Searches and Automated Spectral Assignment
Richard Lee (ACD/Labs)
13:35–14:05 A Platform for Efficient and Comprehensive Metabolite Identification
Richard Lee (ACD/Labs)
14:05–14:35 Coffee Break
Organic Structures from Spectra by Nuclear Magnetic Resonance (NMR) and Mass Spectrometry (MS)
14:35–15:05 Computer Aided Structure Confirmation and Elucidation
Gerd Rheinwald (ACD/Labs)
15:05–15:35 A Pragmatic Approach to a Successful Evaluation of Automated Structure Verification (ASV)
Markus Blatter (Novartis Pharma AG)
15:35–15:55 Automated Rapid and Effective Mixture Analysis and Targeted Profiling
Shahriar Jahanbakht (ACD/Labs)
15:55–16:00 Concluding Remarks
Oliver Ax (ACD/Labs)
Thursday, 22nd September
Time Topic
9:00–9:30 Registration
9:30–9:40 Welcome & Introduction
Gabriela Cimpan (ACD/Labs)
9:40–10:10 Externalization of Scientific Research and Development: How to Cope with an Analytical Outsourcing Strategy
Guy Desmarquets (ACD/Labs)
10:10–10:30 A Unifying Laboratory Informatics System to capture Chemical Structures, Reactions, and their Spectroscopic, Spectrometric, and Chromatographic Identifiers
Oliver Ax and Tim Salbert (ACD/Labs)
10:30–11:00 A Comprehensive Integrated Workflow in Discovery Analytics
Josef Schneider (F. Hoffmann - La Roche)
11:00–11:15 Coffee Break
11:15–11:30 Accurate IUPAC Nomenclature of Organic Chemistry from Chemical Structure integrated into Scientific Workflow Management Systems
Shahriar Jahanbakht (ACD/Labs)
11:30–12:00 A Computational Chemistry Webportal for in-silico Prediction of Physicochemical, ADME, and Toxicity Properties from Chemical Structure
Shahriar Jahanbakht (ACD/Labs)
12:00–12:20 A Webportal for Data, Chemical Structure, Spectra and Chromatogram Retrieval from a Unifying Laboratory Informatics System
Gerd Rheinwald (ACD/Labs)
12:20–12:30 Concluding Remarks
Guy Desmarquets
12:30–13:10 Complimentary Lunch Buffet

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