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: 268
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


Exploration of High-Temperature Petroleum Analysis Using Comprehensive Two=Dimensional Gas Chromatography and Time-of-Flight Mass Spectrometry
Christina Kelly, Joseph Binkley, Lorne Fell, David Alonso

A new Windowed Graph Fourier Transform
Le Trung-Thanh; Nguyen Linh-Trung; Tran Thi Thuy-Quynh;

Mechanism of Treatment-induced Drug Resistance in Lung Cancer
Mark Howell a,b*, Ryan Green a,b, Eva Samal a,b, Rajesh Nair d,g, Stanley Stevens f, Jit Banerjee a, Shyam Mohapatra b,c,d,e, and Subhra Mohapatra a,b,e

Pathways Analysis in Brain Aging
Anastasia P. Nesterova, Eugene A. Klimov, Maria Zharkova, Vladimir Sobolev

Angiographic Views with Worst Percent Diameter Stenosis Better Correlate with Ischemia than the Mean Value of 2 Orthogonal Views: A Fractional Flow Reserve Study
John N Meriwether, Shayan Falasiri, Fadi Matar

 
Keep up to date
with the latest posters
Receive World Wide Exposure
Increase Collaboration
Close
Close
Premium CrownJOIN THE EPOSTERS COMMUNITY!