Posters
« Back
Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery
EP24189
Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery
Submitted on 29 Jun 2016

Richard Lee,1 Vitaly Lashin,2 Andrey Paramonov,2 Alexandr Sakharov,2 Alexey Aminov2
1Advanced Chemistry Development, Inc. (ACD/Labs), 8 King Street East, Toronto, ON. M5C 1B5. Canada; 2ACD/Labs, Moscow, Russia
This poster was presented at ASMS
Poster Views: 549
View poster »
Poster Abstract
Information gained from metabolite analysis plays a critical role in early drug discovery and development. The principle method of recognizing these metabolic "hotspots" are through interpretation of mass spectrometry data, resulting in elucidation of biotransformation pathways. Although there have been a number of significant instrumental and software advancements to aid in metabolite identification, the main challenge in these studies is still structure elucidation of metabolites from the parent compounds. This work describes a new automated software routine which combines batch processing, prediction, and data driven metabolite detection and structure verification through mass spectral analysis.Report abuse »
Questions
Ask the author a question about this poster.
Ask a Question »

Creative Commons

Related Posters


MODEL-AD: Bioinformatics and Data ManagementMODEL-AD: Bioinformatics and Data Management
Bruce Lamb1, Michael Sasner2, Andrew Saykin1, Lara Mangravite3, Gregory Carter2

MODEL-AD: The Disease Modeling Project
M.Sasner1, A. Oblak2, H. Williams1, G. Howell1, B.T. Lamb2 and the MODEL-AD consortium

MODEL-AD: Genetic models of late-onset Alzheimer’s disease
*A. OBLAK1,2, G. CARTER3, G. R. HOWELL3, B. LOGSDON4, L. MANGRAVITE4, K. NHO2, L. OMBERG4, K. D. ONOS3, V. PHILIP3, C. PREUSS3, S. J. SUKOFF RIZZO3, M. SASNER3, L. SHEN1,2, A. J. SAYKIN1,2, P. TERRITO1,2, A. UYAR3, H. WILLIAMS3, B. T. LAMB1,5

Preclinical drug screening in new generation Alzheimer’s disease mouse models: The MODEL-AD Consortium Strategy
P.R. Territo1, S.J. Sukoff Rizzo2, K. Onos2, J.A. Meyer1, J. Peters1, S.C. Persohn1, B.R. McCarthy1, A.A. Riley1, S. Quinney1, D. Jones1, M. Sasner2, G. Howell2, H. Williams2, A.J. Oblak1, B.L. Lamb1 and the MODEL-AD consortium

Pesticide Detection in Hop (Humulus lupulus) Extracts by GC-TOFMS
Todd Richards and Joseph E. Binkley