News

Support for Red Hat® Enterprise Linux®

PharmaDM announces immediate availability of DMax Chemistry Assistant™ – the QSAR data mining and in-silico small molecule screening tool of choice – for Red Hat Enterprise Linux (RHEL) 4.4. Ever since its launch in early 2006, the QSAR data mining software has been supported on four operating systems: Microsoft® Windows® 2000, Windows XP, Novell SUSE® Linux, and SUSE Linux Enterpise Server (SLES) 9. PharmaDM is now pleased to add Red Hat Enterprise Linux WS/ES 4.4 to the list of supported operating systems. Linux is a registered trademark of Linus Torvalds. Red Hat is a registered trademark of Red Hat, Inc. Microsoft and Windows are registered trademarks of Microsoft Corporation. SUSE is a registered trademark of Novell, Inc.

Improved compound library cherry picking

DMax Chemistry Assistant™ enables compound library cherry picking A new update of DMax Chemistry Assistant™ enables chemists to scan very large compound libraries with models built from their own data. The expert systems built by DMax Chemistry Assistant™ were already best-in-class, with unmatched expressiveness and understandability. The new update now adds the capability for prioritising large compound sets, based on an arbitrary expert system. DMax Chemistry Assistant™ is now routinely tested and fully supported on libraries of up to 1,000,000 small molecules, and PharmaDM anticipates some customers to process even larger libraries. While primitive QSAR tools without relational data mining capabilities have not been in short supply for quite some time, the update reaffirms PharmaDM’s technical lead in bringing fully…

Results Pfizer-PharmaDM collaboration published

The results of a Pfizer-PharmaDM collaboration aimed at the discovery of hydrogen-bonding rules in crystals have been published in Molecular Pharmaceutics (an ACS journal). Discovering H-Bonding Rules in Crystals with Inductive Logic Programming Howard Y. Ando, (*) Luc Dehaspe, Walter Luyten, Elke Van Craenenbroeck, Henk Vandecasteele, (+) and Luc Van Meervelt (#) (*) Research Formulations, Pfizer Global Research and Development, Ann Arbor Laboratories, Ann Arbor, Michigan 48105, (+) PharmaDM, Kapeldreef 60, B-3001 Leuven, Belgium, and (#) Department of Chemistry, K.U.Leuven, Biomolecular Architecture, Celestijnenlaan 200F, B-3001 Leuven, Belgium Abstract: In the domain of crystal engineering, various schemes have been proposed for the classification of hydrogen bonding (H-bonding) patterns observed in 3D crystal structures. In this study, the aim is to complement…