Publications
Novel Multi-Parametric Decision Making Software For LC-MS In Medicinal Chemistry And Compound Management
SLAS 2014, San Diego, CA, USA, 18-22 January 2014, Joseph Simpkins; Mark Bayliss
It has been said the goal of technology is to make our lives more enjoyable by reducing tedious labor. The development of high throughput, multi-dimensional (LC /UV/DAD/MS/ELSD/CLND, etc.) screening techniques generates much data and subsequently increases labor time and investment in reviewing the […]
Strategy For Driving Throughput In Compound QC And Purification Workflows Through Automatic Logic Based Decision Software
IQPC Boston 2013, Boston, MA, USA, September 23 – 25, 2013, Todd Blonshine, Joseph Simpkins, Mark Bayliss
Quality improvements have been driving library management in recent years. This has placed added labor burden on the compound management analyst to make the correct call. Quality control of the compound library requires a skilled […]
Taking High Resolution Data LC/MS Reduction To The Next Level For Reduced False Positive Detection And Increased Mass Accuracy
ASMS 2013, Minneapolis, MN, USA, June 9 – 13, 2013, Mark A. Bayliss, Joseph Simpkins, Stephane Murphy, Timothy R. Croley, Ann M. Knolhoff
Both targeted and non-targeted full scan MS assays rely on the ability to extract and process extracted ion chromatograms (EIC) and spectra. Data processing in almost all commercial and in-house developed data processing […]
Driving Throughput In Compound QC Screening Through Automation, Accuracy And Logic Based Results Analysis
QPC London 2013, London, UK, May 22 – 23, 2013, Mark Bayliss
Case Studies in Driving Throughput in Compound QC Screening through Automation, Accuracy and Logic Based Results Analysis
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Supporting Medicinal Chemistry And Lead To Hit Screening In Pharmaceuticals A Project Of Result Accuracy, Automation, Infrastructure, Time To Result And Reducing Complaints
Sermacs Raleigh Convention Center 2012, Raleigh, NC, USA, November 17, 2012, Mark Bayliss
“Supporting Medicinal Chemistry and Lead to Hit Screening in Pharmaceuticals A project of result accuracy, automation, infrastructure, time to result and reducing complaints”
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Automated Selection Of Optimal Purification Conditions From LC/MS And SFC/MS Screening Methods
ASMS 2011, Salt Lake City, UT, USA, 23-27 June 2011, Christine Aurigemma; William Farrell; Joseph Simpkins; Mark Bayliss
Screening methods are a high throughput common approach for accelerating method development for chromatographic separations. Using this approach, several method conditions can be screened in serial or parallel to reduce or eliminate timely method […]
24 Hours To Pure Sample From Sample Receipt
ASMS 2011, Salt Lake City, UT, USA, 23-27 June 2011, Mark Bayliss, Joseph Simpkins, Stephane Murphy, Martin Fuhr, Utz-Peter Jagusch, Josephine Archinal, Stefan Oberbörsch
Support of Medicinal Chemistry, Compound Collection and our Synthetic Chemists requires our laboratories to deliver purified, confirmed chemistries for downstream activities. Historically sample turnaround times were both variable and often […]
Achieving 24 Hour Turnaround From Sample Submission And Initial QC To Final Purified And Confirmed Drug Discovery Lead Compounds.
Pittcon 2011, Atlanta, GE March 13-18 2011, Mark Bayliss, Joseph Simpkins, Stephane Murphy, Martin Fuhr, Utz-Peter Jagusch, Josephine Archinal, Stefan Oberbörsch
Part of our drug discovery philosophy is to commence our lead evaluation with purified lead compounds that have been confirmed for presence and minimum acceptable purity prior to biological activity screening. The goal […]
Experiences And Details Of A High Throughput, Multi-User, Multiple Instrument Hardware Vendor Screening Solution For Library QC And Target Purification.
Laboratory Automation 2011, Palm Springs, CA January 29- February 2 2011, Mark Bayliss, Joseph Simpkins, Stephane Murphy, Martin Fuhr, Utz-Peter Jagusch, Josephine Archinal, Stefan Oberbörsch
Screening high volumes of analytical results for quality and consistency of results when it comes to library compound management QC, small to medium automated synthesis support and purification of targets is […]
Towards Automated Evaluation Of Result Accuracy For LC/MS/UV/ELSD/CLND Substance Screening – Supporting Library Management And Medicinal Chemistry
ASMS 2010, Salt Lake City, UT, USA, 23rd – 27th May 2010, Mark Bayliss, Joseph Simpkins
The analysis of data supporting corporate compound library management, synthesis and medicinal chemistry support relies on LC/MS/UV/ELSD/CLND/CAD) as its primary means of substance confirmation. Confirmation being defined here as the presence of the substance, its purity (%Area of some chosen detector stream […]