News and Events
June 2014, JCAMD article published online
Tony was invited to write an article about the pKa Databases for a special "data" edition of the Journal of Computer-Aided Molecular Design.
March 2014, pKaData Limited releases version 1.0 of the Non-Aqueous Database
See Products for more details.
November 1, 2013 - our partner, OpenEye Scientific Software, releases pKa Prospector v 1.0
This software enables sophisticated searching of the Aqueous Database.
September 21 - 23, 2011 EuroCUP V Dublin, Ireland.
pKaData was invited to present a poster at this event.
March 7 - 9, 2011 CUP XII Santa Fe.
Tony was invited to give a presentation in the Predictive Methods Beyond Discovery Session. Click on PowerPoint presentation for more details.
November 1, 2010 - pKaData partners with OpenEye to provide substructure searchable databases of experimental pKa values
pKaData Limited announces that it has partnered with OpenEye Scientific Software Inc. (www.eyesopen.com) the developer of innovative molecular modelling and cheminformatics solutions for drug discovery, to provide a collection of four fully curated databases of experimental pKa values in aqueous solution.
Tony Slater, founder of pKaData Limited, notes that, “the IUPAC compilations of experimental pKa values of organic acids and bases in aqueous solution are an extremely valuable and unique resource, especially as IUPAC have included a critical data quality assessment. These compilations have been used in pharmaceutical and agrochemical research for decades. However, their utilization has been hindered because the data were only available in book form. We have had a long association with OpenEye and have come to value and respect their approach and integrity, which is why we are delighted with this partnership.”
Dr. Anthony Nicholls, founder of OpenEye, comments, “Experimental data is the cornerstone of predictive modeling and we are delighted to be a part of the work by pKaData to make this invaluable resource both more available and more useful.”
OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts, Strasbourg, France and Tokyo, Japan. It was founded in 1997 to develop large-scale molecular modelling applications and toolkits and is primarily aimed towards drug discovery and design.
September 30, 2009, Alderley Park, Cheshire, UK, Tony was invited to demonstrate the databases at the 7th PhysChem Forum Meeting.
April 22 - 24, 2009, Toledo, Spain, Tony was invited to speak at the EuroCUP III scientific meeting in the "Databases and Data Sources for Molecular Modeling" session. His PowerPoint presentation provides more details of the project.
February 8 - 11, 2009, ETH Zurich, Switzerland, pKaData Limited sponsored the LogP2009 conference.