The MedChemWizard is a KNIME workflow designed to assist medicinal chemists with idea generation, ligand design and lead optimization using a number of common functional group transformations and medchem rules-of-thumb, this tutorial provided by Dr. Alastair Donald gives a detailed description of it's use.
KNIME 2.7 has been released.
KNIME now runs on Java 7 for Windows and Linux systems (Mac stays on Java 6) Eclipse update 3.7 increases stability on Mac and some Linux systems. BIRT 3.7 brings Open Office support among other new features
JFreeChart nodes have now more setting options in the “General Plot Options” tab of their configuration window.
In R-> Local there are a number of new nodes to import:
- “Table to R” can read a KNIME table into R and output the R workspace.
- “R to Table” takes an R workspace and outputs a KNIME table.
- “R +Data to R” takes an R workspace and optional data input and outputs an R workspace.
- “R to R-View” takes an R workspace and outputs a KNIME view
There is a KNIME tutorial here
The 1Q KNIME newsletter is out. Discussion of text mining, the Feb UGM and Tips and Tricks.
KNIME (Konstanz Information Miner) is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform.
There is a KNIME tutorial here.
From the KNIME newsletter
“…good news for our Mac Users! We have just released KNIME 2.5.4 which fixes issues caused by the latest Apple update of the Java environment. We are grateful to the very active KNIME community which has helped to identify and fix this problem.”
KNIME Desktop 2.5.4 can be downloaded from the download page (http://www.knime.org/download) or you can upgrade your existing KNIME installation by using the built-in update functionality available in the "File" menu
There is also a KNIME tutorial here