Open babel has its origin in a version of oelib released as opensource software by openeye scientific under the gpl gnu public license. It was founded in 1997 to develop largescale molecular modeling applications and toolkits that are primarily used for pharmaceutical discovery and design, reducing time to market for new pharmaceuticals. A free inside look at openeye scientific software salary trends based on 16 salaries wages for 10 jobs at openeye scientific software. Before starting nextmove software, roger has worked at glaxowellcome, metaphorics llc and openeye scientific software. Learn more about paul hawkins, senior applications scientist, openeye scientific software including contact information, career history, news and intelligence. View roger sayle s profile on linkedin, the worlds largest professional community. He gained his phd in computer science at the university of edinburgh. October 2009 a publication american translators association. Openeye offers an extensive set of cuttingedge cheminformatics toolkits across a wide range of platforms and languages. This is the technique used to perform language translation in openeye scientific softwares lexichem structuretoname and nametostructure products.
Openeye scientific is a privately held company headquartered in santa fe, nm, with offices in boston, cologne, and tokyo. Openeye scientific software has 17 repositories available. Openeye software is compatible with all openeye recording solutions. Roger sayle patch implement switch statements with bit. Numerical software optimization in the theoretical biology and applied computer science divisions. A read is counted each time someone views a publication summary such as the title, abstract, and list of authors, clicks on a figure, or views or downloads the fulltext. Matched pairs and series drug discovery world ddw, the. Integration the organization of the psychological or social traits and tendencies of a personality into a harmonious whole. The software is designed for scientific rigor, as well as speed, scalability and platform independence. Senior research scientist january 1994 to november 1997 stevenage. If a chemist can describe the problem so succinctly, one might question why the complication of tautomerism remains a considerable challenge to cheminformatics and computerassisted drug design. Anthony nicholls is from plymouth, england, home to what used to be one of the worst soccer teams in the nation. Openeye scientific software, santa fe, new mexico 87508.
Openeye makes much of its technology available as toolkits suitable for custom development. Openeye scientific software molecular modeling software. View the latest documentation for our products and toolkits. Chemistry central journal poster presentation open access foreign language examples in chemical nomenclature roger sayle address. Join facebook to connect with roger sayle and others you may know.
The company has focused on software for 3d modelling, but, for communication between chemists, names and 2d renderings are extremely important. Matt stahl, ant nicholls, geoff skillman, mark mcgann, joe corkery, and roger sayle who answered countless questions, and provided a wealth of chemistry, physics, and programming advice. Inspiration for the molconnz toolkit comes from our friends and colleagues at daylight chemical information system, inc. Want to integrate your disparate chemical information and turn it into focused knowledge. Anthony ant nicholls is a physicist and entrepreneur from plympton, plymouth, england. Roger sayleis currently the vicepresident at openeye scientific software, which develops software to assist drug discovery in the pharmaceutical industry. Dave weininger and at openeye scientific software, inc.
Nicholls has largely worked in molecular biophysics, designing software that is used in drug discovery. As do daylight and openeye tools, the molconnz toolkit communicates through the use of handles, that are persistent. The national institutes of health nih has decided to use openeye scientific softwares cheminformatics toolkits to provide key infrastructure for pubchem, a database of small organic molecules containing chemical structure and biological activities information. Hooked on protonics, roger sayle and geoff skillman. Improved chemical text mining of patents with infinite dictionaries and automatic spelling correction. Salaries posted anonymously by openeye scientific software employees. An admitted star trek fan and the articles author, roger sayle of openeye scientific software in new mexico, used the klingon characters to illustrate a point about foreign translations of.
Apex is a powerful, open platform, vms deployable as a standalone software or as a turnkey solution bundled with openeyes own nvr hardware. Journal of chemical information and modeling 2012, 52 5, 112411. Before starting nextmove software, roger worked at glaxowellcome, metaphorics llc and openeye scientific software. View roger sayles profile on linkedin, the worlds largest professional community.
Roger sayle ceo and founder nextmove software linkedin. Paired with the openeye web services cloud, apex simplifies the management. This poster is a supplementary adjunct to the oral presentation breaking the language barrier. Chemical translator could prevent name confusion new. Foreign language translation of chemical nomenclature by. In addition to ata, he is a member of the american chemical society and the international union of pure and applied chemistry. Foreign language translation of chemical nomenclature by computer. Primarily aimed towards drug discovery and design, areas of application include. Geoff skillman evp and cso at openeye scientific software, inc. Openeye scientific software uploaded and added to training videos 7 years ago 6. The power and flexibility of a cloud managed solution with the performance and reliability of localized recording. Openeye has employed a number of notable people in cheminformatics, including roger sayle, developer of rasmol.
It appears so simple at first glance, tautomers are isomers of organic compounds that readily interconvert, usually by the migration of hydrogen from one atom to another. Paul hawkins, senior applications scientist, openeye. Translating iupac like chemical nomenclature to and from. Another important area of research is how best to integrate the specialpurpose translation of chemical names.
With applications for video analytics, remotemobile monitoring, pos integration, recurring revenue, managed services, and commandcontrol, we have the tools to make your installation a success. Openeye scientific software scientific computing world. Xiaoqin zou provided me with the sdock source code, which was incorporated into the gbsa scoring class. Geoff skillman cso openeye scientific software, inc. See the complete profile on linkedin and discover roger s connections and jobs at similar companies. Canonicalized systematic nomenclature in cheminformatics. This is the technique used to perform language translation in openeye scientific softwares lexichem structuretoname and nametostructure products, 22 described in detail below. Our scientific approach has focussed on the power of molecular 3d structure to inform and guide, in. Roger sayle of openeye scientific software in santa fe, new mexico, which developed the program, says such a system is needed to prevent slipups in papers and patents. Openeye scientific software has released ogham and lexichem, programs that handle 2d rendering, naming of compounds and the generation of structures from names. Afitt is the only software available to offer a fully automatic ligand fitting process that optimizes. The poster will present numerous examples of the way that iupac and traditional nomenclature of chemical compounds is expressedrepresented in various languages, such as british, american, german, spanish, swedish, japanese, polish, russian, french, dutch.
Softwareopeneye offers a wide range of software solutions to enhance your video surveillance installation. Human translators who overlook subtleties, such as spaces or capital letters, can end up with the name of an entirely different compound. In 2001, openeye decided to rewrite oelib inhouse as the proprietary oechem library, so the existing code from oelib was spun out into the new open babel project. See the complete profile on linkedin and discover rogers connections and jobs at similar companies. It was founded in 1997 to develop largescale molecular modeling applications and toolkits. Openeye makes most of its technology available as toolkits programming libraries suitable for custom development. Before starting nextmove software, roger has worked at glaxowellcome now gsk, metaphorics llc and openeye scientific software. Openeye scientific software is a member of vimeo, the home for high quality videos and the people who love them. Software, roger worked at glaxowellcome, metaphorics llc and openeye scientific software. Roger sayle of openeye scientific software in santa fe, new mexico, which developed the program, says such a system is needed to prevent continue reading subscribe for unlimited digital access. Openeye software typically is distributable across multiple processors and runs on linux, windows and mac os x. Vp software engineering august 2001 to january 2010 santa fe, new mexico.
682 559 1301 375 1064 992 1447 565 300 465 219 399 598 448 1416 626 775 761 651 863 114 317 890 7 1171 169 913 248 476 1462 1170 89