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High-throughput shape similarity screening: Screen3D Publication
February 2013
Product group:
Discovery toolkit
A System for Encoding and Searching Markush Structures Publication
The encoding and searching of generic chemical structures, so-called Markush structures, have received little attention in the literature of late. The ability to encode and search these c…
July 2012
Product group:
Markush IP
Predicting the Metabolic Pathways of Small Molecules Based on Their Physicochemical Properties Publication
How to correctly and efficiently map small molecule to its possible metabolic pathway is a meaningful topic to metabonomics research. In this work, a novel approach to address this proble…
May 2012
Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry Publication
One of the major obstacles in metabolomics is the identification of unknown metabolites. We tested constraints for reidentifying the correct structures of 29 known metabolite peaks from G…
June 2011
Screen GUI sneak peek Tutorial
Get a sneak peek into the current state of the Disco toolbox prototype development as of May 2013. Conceptual user interaction design for property space visualization, snapshot management…
May 2013
Product group:
Discovery toolkit
Pearson Education and ChemAxon: Partnership to develop educational MarvinSketch Presentation
Media & Software Developers from Pearson Education to discuss the integration of ChemAxon’s MarvinSketch, MarvinView and JChem into the online homework, tutorial, and assessment sys…
September 2012
Product group:
Desktop applications
Chemical Structure Registration in a Diverse Chemical Company: Unique, Complex, and ChemAxon. Presentation
As a very large chemical company with a diverse portfolio of businesses and products, The Dow Chemical Company requires a registry application able to accommodate many different kinds of …
September 2012
Product group:
Desktop applications
Compound Progression Workflow Process Presentation
Compound progression workflow process is a mechanism to track stage, status and actions of compounds within a project to streamline drug discovery operations. This is accomplished by prov…
September 2012
Product group:
IT platform toolkit
Just Another Chemical Query (ChemQ) Tool or Not Presentation
Chemists across diverse industries have the need to perform structure searching for both public and proprietary chemical databases. We set out to build a web-based application that could…
September 2012
Product group:
IT platform toolkit
JChem Base & Cartridge II: Structure searching in database - Developer Training Webinar
In this webinar we would like to concentrate on the Java API and JChem Cartridge. The main focus will be on using Java API to connect to JChem databases, and Cartridge examples are also g…
March 2013
Product group:
IT platform toolkit
Extracting and connecting chemical structures from text sources using chemicalize.org Publication
Background
Exploring bioactive chemistry requires navigating between structures and data from a variety of text-based sources. While PubChem currently includes approximately 16 million do…
April 2013
Synthesis, Anti-HIV Activity Studies, and in silico Rationalization of Cyclobutane-Fused Nucleosides Publication
The present work describes some recent approaches to novel 3-oxabicyclo[3.2.0]heptane-type nucleosides structurally similar to the potent anti-HIV agent stavudine (d4T). To gain knowledge…
June 2012
Product group:
Discovery toolkit
Enhancing the User Experience for Wiley Chemistry Content Presentation
Neil Pearson, Software Architect at John Wiley and Sons Inc., will present Wiley’s latest developments in enhanced user experience for the chemist. Neil will conduct a live demonstrati…
September 2012
Product group:
Naming
JChem Web Services - Developer Training Webinar
JChem Web Services provides a web interface that extends access to the JChem suite of tools over the Internet or an internal network. This interface makes it easy to integrate chemistry t…
April 2013
Product group:
IT platform toolkit
Instant JChem Groovy Scripting Part 1: The Basics - Developer Training Webinar
The first part of a two part series will cover basic concepts with scripting Groovy within IJC. This entails fundamental structure, and an exploration of some basic concepts: handling mol…
April 2013
Product group:
Desktop applications
Future-proofing Cheminformatics Platforms Publication
April 2012
Product group:
IT platform toolkit
JChem Base & Cartridge III: Structure searching in memory and visualizing results - Developer Training Webinar
Continuing our previous webinar on database tasks, in this training we will give an overview about structure search in memory and visualization options. Searches can be performed without …
March 2013
Product group:
IT platform toolkit
Structure Checker - Checking and fixing structures in an extensible way - Developer Training Webinar
This webinar will show you how to implement a structure checker, and how to use it to check and fix structures in ChemAxon products. The following topics will be covered:
What is Struct…
March 2013
Product group:
IT platform toolkit
Keynote: Future-proofing - managing systems in rapidly changing times Presentation
Our CEO, Alex Drijver and Ramesh Durvasula, Director for Molecular Sciences, Candidate Optimization & Drug Safety at Bristol-Myers Squibb, are discussing the future of the industry, …
September 2012
Cloudy with a touch of Cheminformatics Presentation
Remote hosting (a.k.a. cloud computing) has become a popular topic in recent years with many vendors providing such cloud based services. The cloud enables the use of massive, on demand …
September 2012
Product group:
Discovery toolkit
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