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Third Party Reference to ACD/Labs
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Anal. Bioanal. Chem., 2007, 1267-1281
"Benchmarking and validating algorithms that estimate pKa values of drugs based on their molecular structures"
M. Meloun, S. Bordovska
Read the abstract or download the article from the Journal of Analytical & Bioanalytical Chemistry web site. June 13, 2007, PhysChem Forum 3, Forest Row, East Sussex, UK
"PhysChem Measurements—More Than Just a Number"
Emily Freeman
Read the abstract or download the presentation in Adobe Acrobat format (1.58 Mb PDF file). Molecules; 2006; 11; 925-928
"Improving the Quality of Published Chemical names with Nomenclature Software"
Gernot A. Eller
Read the abstract or additional information or download the article from the MDPI Web Site. Org. Biomol. Chem.; 2006; 4; 1977-2002
"Chemical Variation of Natural Product-like Scaffolds: Design and Synthesis of Spiroketal Derivatives"
Giovanna Zinzalla, Lech-Gustav Milroy and Steven V. Ley J. Chem. Inf. Model.; 2005; 45(2) pp 360 - 365
"Whole-Molecule Calculation of LogP Based on Molar Volume, Hydrogen Bonds, and Simulated 13C NMR Spectra"
Laura K. Schnackenberg and Richard D. Beger
Read the abstract or download the article from the ACS Web Site.
October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"The Role of Lipophilicity and Acid/Base Character in Drug Disposition "in vivo""
Kláara Valkó, Shenaz Nunhuck, Ferenc Hollósy & Chris Bevan (GlaxoSmithKline)
Read the abstract or download the presentation in Adobe Acrobat format (516 Kb PDF file). October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"Enhancing Knowledge Through a Combination of In-silico and In-vitro ADME Profiling Assays"
Bernard Faller (Novartis Institutes for BioMedical Research)
Read the abstract or download the presentation in Adobe Acrobat format (763 Kb PDF file). October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"Can we Identify Models for Brain Uptake and Intestinal Absorption"
Michael H. Abraham (University College London)
Read the abstract or download the presentation in MS PowerPoint (57 Kb ZIP file) or Adobe Acrobat format (106 Kb PDF file). October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"A New Approach to Assess Lead- and Drug-likeness"
Herman Verheij (Pyxis Discovery)
Read the abstract or download the presentation in Adobe Acrobat format (2.27 Mb PDF file). October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"Recent Work on Skin Permeation and Skin Uptake"
Michael H. Abraham (University College London)
Read the abstract or download the presentation in MS PowerPoint (33 Kb ZIP file) or Adobe Acrobat format (76 Kb PDF file). October 21, 2004, 1st Annual PhysChem Symposium: Early ADME and Medicinal Chemistry
"Improving Solubility in Lead Selection and Compound Optimization"
Bernard Faller (Novartis Institutes for BioMedical Research)
Read the abstract or download the presentation in Adobe Acrobat format (624 Kb PDF file). October 19 - 21, 2004, ACD/Labs 5th Annual European Users' Meeting 2004 (EUM)
"Strategies on Building Training Databases for
Optimizing NMR Prediction with ACD/Labs Software: The First Step toward Reliable Automatic Assignment"
Stelian Nicula, Daniela Borghi
Read the abstract or download the presentation in MS PowerPoint (2.69 Mb ZIP file) or Adobe Acrobat format (699 Kb PDF file). April 18, 2004, ACD/Labs ENC 2004 Seminar, Pacific Grove, CA, USA
"Avoiding Fortuitous Serendipity - Using 15N NMR Prediction as a tool for 1H-15N Heteronucleus Shift Correlation Experiments"
Gary Martin, Tony Williams
Download the presentation in MS PowerPoint (1.09 Mb ZIP file) or Adobe Acrobat format (729 Kb PDF file). September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"RPLC Column Classification and the Development of a Column Selection Tool"
Patrik Petersson, AstraZeneca Lund
Read the abstract or download the presentation in MS PowerPoint (1345 kb ZIP file) or Adobe Acrobat format (1518 kb PDF file). June 15-20, 2003, Nice, France, HPLC
"ACD/ChromManager as a Tool to Expedite Method Development for Separation of Chiral Molecules by HPLC"
Vera Leshchinskaya, Larry. M. Miller, Mike McBrien, David Powers
Read the abstract J. Chromatogr. A 994 (2003) 13-36
"Chromatographic classification and comparison of commercially available reversed-phase liquid chromatographic columns using principal component analysis"
Melvin R. Euerby, Patrik Petersson
November 10, 2002, Toronto, ON, Canada, AAPS - ACD/Labs Users' Meeting
"Proactive Method Development "Method Development without Samples"
Rudy Sneyers, Willy Janssens, Achille Pluym and Ivan Somers, Johnson & Johnson (given by Michael McBrien)
Download the presentation in PDF format (1.22 Mb) or MS PowerPoint 97/2000 format (3.94 Mb ZIP file).
November 10, 2002, Toronto, ON, Canada, AAPS - ACD/Labs Users' Meeting
"On Predictions of PhysChem in Medicinal Chemistry"
Christopher A. Lipinski, Pfizer
Download the presentation in PDF format (232 Kb) or MS PowerPoint 97/2000 format (260 Kb ZIP file).
November 10, 2002, Toronto, ON, Canada, AAPS - ACD/Labs Users' Meeting
"On Predictions of Physical Chemistry in the Preliminary-Preformulation stage of a Development Program"
Harry G. Brittain, Center for Pharmaceutical Physics
Download the presentation in PDF format (183 Kb) or MS PowerPoint 97/2000 format (59 Kb ZIP file).
October 23 - 24, 2002, Obernai, France, ACD/Labs European User Meeting
"The Role of Systematic Naming in the Publishing Industry"
M. Fiona Shortt de Hernandez, Science of Synthesis
Download the presentation in PDF format (5.1 Mb) or MS PowerPoint 97/2000 format (4.46 Mb ZIP file).
October 23 - 24, 2002, Obernai, France, ACD/Labs European User Meeting
"Automated HPLC Screening and Method Development System"
Rudy Sneyers, Willy Janssens, Achille Pluym and Ivan Somers, Johnson & Johnson Pharmaceutical Research & Development
Download the presentation in PDF format (1.5 Mb) or MS PowerPoint 97/2000 format (7.27 Mb ZIP file).
October 23 - 24, 2002, Obernai, France, ACD/Labs European User Meeting
"Automated method selection for fast LC-MS: Introducing "ChromGenius"
Richard J.Taylor, Celltech R&D, Slough, UK
Download the presentation in PDF format (195 Kb) or MS PowerPoint 97/2000 format (452 Kb ZIP file).
October 23 - 24, 2002, Obernai, France, ACD/Labs European User Meeting
"Three Steps to Reliable CE Methods - or how to Visualize, Understand and Optimize CE Parameters"
Bernd Mümmler, Heumann Pharma GmbH, Nürnberg
Download the presentation in PDF format (929 Kb) or MS PowerPoint 97/2000 format (2.10 Mb ZIP file).
October 8, 10, 2002, Fujitsu, Makuhari Meeting, Japan
"Use of NMR Predictions"
Ms. Sakurai (Mitsubishi)
Download the presentation in PDF format (219 Kb).
October 8, 10, 2002, Fujitsu, Japan
"Data integration and macro-commands in ACD/SpecManager"
Takayuki Yatogo (LA Systems)
Download the presentation in PDF format (389 Kb) or MS PowerPoint 97/2000 format (276 Kb ZIP file).
October 2002
"Qualitative and Quantitative Spectrometric Data-Activity Relationship Modeling"
Richard D. Beger, NCTR, FDA
Download the presentation in MS Power Point 97/2000 format (561 Kb ZIP file).
ACD/Labs Licenses Patent Rights for QSDAR from the FDA - Recent Publications 2002, Technical Note
"The ACD/SpecManager Connection"
NuGenesis Technologies®
Download the technical note in PDF format (816 Kb).
May 14, 2002, Research Triangle Park, NC, USA, RTP Users' Meeting
"Using ACD/Labs Software to Facilitate Metabolite Identification"
Andrea Sefler, GlaxoSmithKline
Download the presentation in PDF format (5.73 Mb).
March 7 - 8, 2002, Princeton, NJ USA, ACD/Labs North American Users' Meeting
"Exact Chemical Structure Batch Mode Searches"
Christopher Lipinski, Pfizer
Download the presentation in PDF format (590 Kb) or MS Power Point 97/2000 format (615 Kb ZIP file). University of the West Indies, Jamaica, The Mona Symposium, January 7 - 10, 2002
"Probes, Pulse Sequences & CASE Programe: Advances in the Characterization of Novel Structures Using NMR-based Methods"
Gary E. Martin, Chad E. Hadden, and David J. Russell, Pharmacia
Download the presentation in PDF format (3.82 Mb).
June, 2002, Published at the Molecule of the Month page
"Tryptophan"
Kimberly Dick
Obernai, France, ACD/Labs European Users' Meeting (November 7 - 8, 2001)
"The Design of Drug-Like Properties"
Christopher A. Lipinski, Pfizer
Read the summary, download the presentation in PDF format (260 Kb) or MS Power Point 97/2000 format (210 Kb ZIP file). Denver, CO, USA, 2001 AAPS Annual Meeting (October 21 - 25, 2001)
"The Role of Preliminary-Preformulation in a Typical Preformulation Program"
Harry G. Brittain, Center for Pharmaceutical Physics
Download the presentation in PDF format (38 Kb) or MS Power Point 97/2000 format (25 Kb ZIP file). Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis (CPSA)
(October 9 - 11, 2001)
"Use of ACD/Labs interpretation software within automated Metabolite Identification"
Nigel J. Clarke, Schering-Plough Research Institute, Kenilworth, NJ, USA
Read the summary, download the presentation in PDF format (413 Kb) or MS Power Point 97/2000 format (390 Kb ZIP file). Chicago, IL, USA, ASMS ACD/Labs Users Meeting (May, 2001)
"Higher-Throughput EI/CI-MS Analysis and Data Interpretation for Structural Confirmation of Compounds in Drug Discovery"
Timothy J. Nieuwenhuis, Bruno J. D. Vansina, David M. Guido, James E. Carlson, Olga V. Nemirovskiy, W. Rodney Mathews.
Download the poster in PDF format (149 Kb) or MS Power Point 97/2000 format (1.55 Mb ZIP file). Spectroscopy Europe (March, 2001)
"Online services for your desktop on a pay-as-you-surf principle - ACD/Labs I-Lab"
Antony N. Davies Int. J. Pharm. (2000)
"pH, pKa and Dermal Delivery"
Jonathan Hadgraft and Claudia Valenta Int. J. Pharm. (2000)
"The choice of non-steroidal anti-inflammatory agents for dermal delivery"
Jonathan Hadgraft, Jeanetta du Plessis, Colleen Goosen ENC Poster Session 1998
"Evaluations of Polyunsaturated Fatty Acid Oxidation Using a Combination of 2D NMR methods"
Chris Silwood and Martin Grooteveld, Inflammation Research Group, St.
Barthlomew's and the Royal London Hospital's School of Medicine and
Dentistry, London E1 2AD. J. Chem. Inf. Comput. Sci. 1997, 37, 726-730.
"C13 NMR Chemical Shift Calculations for Some Substituted Pyridines: A Comparative Consideration - A comparison
of the prediction capabilities of different NMR prediction packages (AROSIM, Chemwindows C-13 modules, SPECAL from
SpecInfo, CSPEC2, gNMR, ACD/CNMR and HyperNMR)."
St. Thomas, I. Bruhl, D. Heilmann and E. Kleinpeter Macromolecules, 1997, 31, 2784-2788.
"Ruthenium Catalyzed Synthesis of Cross-Conjugated Polymers and Related Hyperbranched Materials.
Copoly(arylene/1,1-vinylene)s"
T. M. Londergan, Y. You, M. E. Thompson, and W. P. Weber
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This page was last updated
14 March 2008
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