Library
Filter by
product groups,
products:
Efficient simultaneous matching of multiple SMARTS using the ChemAxon toolkits Presentation
The use of SMARTS patterns for pattern matching has become ubiquitous in cheminformatics, and efficient implementations exist for identifying one or more instances of a user-defined subst…
September 2011
Product group:
IT platform toolkit
A Novel Approach to Pharmaceutical Registration ‐ Registration as a Service Presentation
GSK has, over the last several year, taken an aggressive look at cost control in the IT area. Many IT systems and processes have been revamped in an effort to reduce cost. One of those ef…
September 2011
Product group:
IT platform toolkit
Tools for Analyzing Exemplified and Markush Structures in Chemical Patents Presentation
Medicinal chemists rely on patent intelligence at three distinct junctures of a research project: inception of an idea, ongoing competitive intelligence during project development, and pr…
September 2011
Product group:
Markush IP
Development and Deployment of Reagent Logistics Solution Using JChem Base/Cartridge Presentation
Reagent logistics is a key process to enable drug discovery research. The information systems that facilitate this process allow scientists to identify, procure and track reagent samples.…
September 2011
Product group:
IT platform toolkit
Reaction scheme: Capture, Iterator, and Parser Presentation
Reaction scheme is a common form to illustrate synthesis planning and execution. It will be ideal to capture the information as it is. Yet, a system should be able to iterate the compound…
September 2011
Product group:
Discovery toolkit
A Searchable Map of PubChem Publication
The database PubChem was classified using 42 integer value descriptors of molecular structure, here called molecular quantum numbers (MQNs), which count atoms and bond types, polar groups…
October 2010
Product group:
IT platform toolkit
Perspiration, Inspiration, and Happenstance in Scientific Discoveries Presentation
This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…
May 2011
Product group:
Discovery toolkit
Utilizing Marvin in rich internet applications using Microsoft Silverlight Presentation
Microsoft Silverlight is a rather new Web technology that allows to build LOB (Line of business) applications that combine the convenience of a Web Userinterface with the characteristics…
May 2011
The year of chemistry with JChem - formula search, unique structures, Markush, speed ups and more Presentation
This talk will detail the latest and future developments in the JChem server products: JChem Base, Cartridge, Web Services and Markush search. The new molecular formula search types will …
September 2011
Reliably converting names to structures with ChemAxon tools Presentation
IUPAC, CAS, common, drug names form an important part of the chemical data generally available. We present the major upgrades to our name to structure which have been released in the last…
September 2011
Product group:
IT platform toolkit
Excel as a Cheminformatics Interface Presentation
Commercial add‐in programs introduce chemical intelligence into Excel, therefore enable Excel to become a serious development platform candidate for Cheminformatics applications. We wil…
September 2011
Product group:
Desktop applications
Enterprise Deployment of JChem for Excel (JC4XL) Presentation
Life scientists have found Microsoft Excel to be an invaluable tool in managing and visualizing research data. ChemAxon’s JChem for Excel (JC4XL) enhances Excel’s capabilities by incl…
September 2011
Product group:
Desktop applications
MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules Publication
Several efficient correspondence graph-based algorithms for determining the maximum common substructure (MCS) of a pair of molecules have been published in the literature. The extension o…
March 2011
Product group:
Discovery toolkit
Advanced searching chemical structures in patents Presentation
Patents allow you a limited monopoly on your invention. Equally important, they allow your competitors the same monopoly on their inventions. Chemical structures in patents are frequently…
September 2011
Product group:
Markush IP
Deploying Instant JChem on an Enterprise Scale Presentation
GSK are in the process of migrating from its legacy forms‐based SAR software to Instant JChem. Ultimately the goal is to see a multi‐tiered architectural solution, though Instant JChe…
September 2011
Product group:
Desktop applications
The chemistry Excel add‐in game Presentation
Starting with a brief overview of the chemistry Excel Add‐Ins available on the market, we will look at the migration challenges from these products. Using two real life case studies, we…
September 2011
Product group:
Desktop applications
The Evolution of the Broad Chemical Biology Informatics Platform Presentation
The Chemical Biology Platform within the Broad Institute screens both the Molecular Libraries Small Molecule Repository (MLSMR) and a unique compound collection synthesized internally thr…
September 2011
Product group:
IT platform toolkit
Implementation of an Integrated Cheminformatics System at RTI Presentation
RTI International has implemented a robust cheminformatics solution based on ChemAxon’s chemistry tools and DeltaSoft’s web applications to facilitate chemical space/chemometr…
September 2011
Product group:
IT platform toolkit
iPHACE: integrative navigation in pharmacological space Publication
Summary: The increasing availability of experimentally determined binding affinities for drugs on multiple protein targets requires the design of specific mining and visualization tools t…
February 2010
Features and applications for IP challenges - working with ChemAxon Markush technology Presentation
Features and applications for IP challenges – working with ChemAxon Markush technology ChemAxon and Thomson Reuters have recently concluded a partnership to enable storage and …
September 2011
Product group:
Markush IP
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | > |