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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
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
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
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
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
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
Evaluation of pKa Estimation Methods on 211 Druglike Compounds Publication
The pKa values of 211 discovery (druglike) compounds were determined experimentally using capillary electrophoresis coupled with ultraviolet spectroscopy and a novel fitting algorithm. Th…
March 2010
Product group:
Discovery toolkit
CEO closing Presentation
September 2011
Migrating to ChemAxon – the good, the bad & the ugly Presentation
At Evotec we have been migrating from other vendors to ChemAxon for years, this year we are moving several key sites from ISIS and CambridgeSoft Suite to JChem based processes. This talk…
May 2011
JChem for SharePoint Presentation
JChem SharePoint is finally here. It has many building blocks allowing users to integrate chemistry functionality under SharePoint 2007 and 2010. We will briefly demonstrate the features,…
September 2011
Product group:
IT platform 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
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
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
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
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
7 Years of ChemAxon at Evotec – choices and possibilities Presentation
“In this presentation, I will discuss some of the history of cheminformatics at Evotec, why we chose ChemAxon as our primary supplier of chemistry tools and why we are still happy w…
May 2011
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
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
Blobs of hope and other flights of fancy Presentation
Simplification of abstract or complex information to a simple principle or rule of thumb is a common way to make the information more concise and accessible to daily use. In pharmaceutic…
May 2011
Product group:
Discovery 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
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