opensmiles.org
OpenSMILES specification
http://opensmiles.org/opensmiles.html
Craig A. James. Version 1.0,. Content is available under GNU Free Documentation License 1.2. Contributors: Richard Apodaca, Noel O’Boyle, Andrew Dalke, John van Drie, Peter Ertl, Geoff Hutchison, Craig A. James, Greg Landrum, Chris Morley, Egon Willighagen, Hans De Winter, Tim Vandermeersch, John May. Antoine Lavoiser, 1787. This document formally defines an open specification. Version of the SMILES. Language, a typographical line notation. Has long been the "gold standard" for the SMILES language, but a...
openbabel.org
THANKS - Open Babel
http://openbabel.org/wiki/THANKS
Open Babel would not be what it is without the help of a cast of many. We are fundamentally a community project and aim to offer open development, responsive to users and contributors alike. In addition to contributors. Of all sorts, a variety of related projects. Keep us on our toes. We would also like to thank everyone who has cited. Open Babel in academic and technical literature, posters, and presentations. Credits (in alphabetical order). Retrieved from " http:/ /en/w/index.php?
chembl.blogspot.com
The ChEMBL-og: February 2015
http://chembl.blogspot.com/2015_02_01_archive.html
The Organization of Drug Discovery Data. Thursday, 26 February 2015. Using the New ChEMBL Web Services. As promised in our earlier post. Here are some more details on making the most of the new ChEMBL web services. The best place to get started is to head over to the documentation page: https:/ www.ebi.ac.uk/chembl/api/data/docs. Looking at the resources in more detail, you will find that each resource has three basic methods:. 1 https:/ www.ebi.ac.uk/chembl/api/data/RESOURCE. SMILES ( https:/ www.eb...
giribio.blogspot.com
Scientific Career: February 2012
http://giribio.blogspot.com/2012_02_01_archive.html
Informatics with Life Sciences. Area like Molecular Modeling, Simulations, Docking, Drug Designing, CADD, Protein Modeling, QSAR, QSPR, Toxicity are being covered. Some postings are from CCL.net. PhD Doctoral Post Doctoral. Friday, 24 February 2012. Internship Project - A fully Open Chemically Searchable ChEMBL. So with that brief bit of background there is now an opportunity for an intern to work in the ChEMBL group on the project for 2-3 months. The idea is will be to setup a process which:. If you are...
it4beginners.wordpress.com
Machine Learning for Beginners | Solutions to IT problems
https://it4beginners.wordpress.com/2014/05/08/machine-learning-for-beginners
Solutions to IT problems. Solutions I found when learning new IT stuff. Machine Learning for Beginners. Leave a comment ». This article is a very brief introduction into machine learning. It does not contain any mathematics or explanations on how machine learning works. In fact I myself am a complete novice regarding the mathematical backgrounds of machine learning. I will show a basic machine learning example using KNIME. And the Iris Data set. I will use an example of supervised machine learning. To te...
blopig.com
Uncategorized | Oxford Protein Informatics Group
http://www.blopig.com/blog/category/uncategorized
Oxford Protein Informatics Group. Or OPIG for friends. What happens to the Human Immune Repertoire over time? Last week during the group meeting we talked about a pre-print publication from the Ippolito group in Austin TX ( here. The authors were monitoring the antibody repertoire from Bone Marrow Plasma Cells ( 80% of circulating abs. This is what the paper talks about in a nutshell. How the antibody repertoire looks like taken at different timepoints in an individual’s lifetime. Antibodies that a human...
biochemfusion.com
Biochemfusion - demo site
http://biochemfusion.com/demo
Proteax Live - Protein Editor. Running at www.proteax.dk. Proteax Live - multi-format calculator. Running at www.proteax.dk. Proteax Live - protein comparison and naming. Running at www.proteax.dk. Proteax - Online demonstration database. Running at www.proteax.dk. Give Proteax a spin. The Proteax Live demo web site. Shows you a subset of Proteax's functionality and how Proteax can be used on web pages. Use the links to the left to go to the demo site. The Biochemfusion demonstration database.
biochemfusion.com
Biochemfusion docs - Index
http://biochemfusion.com/doc/index.html
Biochemfusion documents and presentations. Product sheets / Product flyers. Proteax for Spreadsheets product flyer, May 2013. Proteax KNIME™ nodes product flyer, May 2013. Proteax Cartridge product flyer, May 2012. Creating readable protein SAR tables through consistent naming. PYPL - a cartridge that enables Python functions, and thereby RDKit, in Oracle databases. This presentation is from the 2014 RDKit User Group Meeting hosted by Merck in Darmstadt, Germany. Very large molecules cannot easily be ass...
