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Stereo models explained
Stereo models determine the way stereo chemistry is calculated, which affects stereo matching. The differences centre around the issue of symmetry. Our documentation has improved with additional...
View ArticleCode class: Calling a RESTful web service from Instant JChem
Data is increasingly becoming available through web services nowadays, and REST is becoming dominant mostly due to its extreme simplicity. This post shows how you can call an external RESTful web...
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Clustering by scaffolds
This post is a tutorial to a new component in IJC, the Tree Table. Do you have some interesting use cases? Share them in comments below this article. So what can we do with this Tree Table? We will...
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chemicalize.org's crowdsourced database - now in Pubchem
Over the past few years, one of the most surprising community effects have been playing out on chemicalize.org: building a huge crowdsourced database of interesting chemical structures. How? Webpage...
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Agile tales: Where did that demo go today?
Yesterday I had a chat with a developer about daily demos. He and his team were planning to demo their product increment in the next couple of days for all other teams, developers who were interested....
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Marvin: beyond Java
ChemAxon’s Marvin Applets requires Java to be installed. At this time Java on Web Browsers is not being well supported which causes problems for end users. We have posted some notes on Security issues...
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Security issues with Marvin Applet loading in Web Browsers and on Mac
All operating systems and most popular browsers Because of a recently identified security hole, the major Web Browsers including Chrome, Internet Explorer, Firefox, and Safari, have greatly reduced...
View ArticleAutomating database creation
Have you ever needed to create a database that includes JChem tables? Maybe you’ve done this manually, but if you’re doing this as part of a development process then it needs to be automated. Its...
View ArticleHappy Birthday ChemAxon!
Today, we are celebrating ChemAxon’s 15th birthday! Started in 1998 by two people with an idea and a vision, from humble beginnings in the spare room of an apartment in Budapest, ChemAxon has today...
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Why 1+1=3 in the world of unstructured text analysis
ChemAxon works with a large variety of software partners who offer complementary capabilities. I recently chatted with David Milward of ChemAxon partner Linguamatics about what happens when you combine...
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How can sequestration affect our industry?
I guess the two most important questions are: What the heck is sequestration and why should we care about it? The Sequestration Transparency Act, you can hear a lot about currently, is a Budget Control...
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Support your Academic Package! – the sequel
As promised, I am posting some new posters for you to print out and post to your department noticeboards to help promote cheminformatics and ChemAxon’s free provision of software for academic teaching...
View ArticleMarvin for JavaScript 0.8 released. Try it!
Your browser does not support Marvin for JavaScript. - JavaScript enabled ✘ New features Usability: Abbreviated group handling A large set of predefined abbreviated groups are now available and can be...
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C’mon scientists, let’s go social!
The problems we see Scientists and researchers are supposed to be leaders of modern societies, enigmatic figures leading technological innovations. However, when it comes to adopting technologies...
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Code class: Creating a simple user interface from a script
In an earlier post we created a script that called out to a RESTful web service that performs a structure search against the ChEMBL database and pulls back results into IJC. It concentrated on how to...
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Practical virtual screening using the Instant JChem platform
Silicon and Iron have been “co-operating” under pressure for a very, very long time… The problem Virtual screening (VS) is not a definitive answer to finding the needle in the haystack but it can...
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Predicting Nano and the things with it...
Descriptors and quantitative structure property/activity relationships (QSARs, QSPRs) are powerful approaches widely used in drug discovery to predict physical, chemical and biological properties of...
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Agile tales: Failed sprint
Speaking about failures (see: the demo effect), I often hear from scrum fellows that “our sprint failed”. I always wonder: what does that mean? The usual explanation goes like “We could not finish all...
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No Comment: The book of ChemAxon
Blog Robots asks “Is there value in machine extraction, editing and publishing” www.barnesandnoble.com/w/chemaxon-kn-tr-benoit/1104913267 No Comment
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Is Graphene ending the promises for Carbon Nanotubes?
Let me start with what’s in the background, and why I think this is a valid and potentially a highly influential technological issue these days. This month it rather surprisingly hit the news that...
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