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We are back after Sandy: http://cactus.nci.nih.gov is back and up again. It is online since yesterday but since I see ... http://cactus.nci.nih.gov/blog...
We shut down now: See you soon http://cactus.nci.nih.gov/blog...
Hurricane Sandy: Because of Hurricane Sande, we (probably) are going to shutdown our web server, cactus.nci.nih.... http://cactus.nci.nih.gov/blog...
CIRpy – A python wrapper for the Chemical Identifier Resolver: Matt Swain has written a nice python wrapper for ... http://cactus.nci.nih.gov/blog...
WindowsApp Lab Helper: Ian Powley, member of the MRC Toxicology Unit of the University of Leicester, UK, wrote a... http://cactus.nci.nih.gov/blog...
Slides of my ACS San Diego (InChI Symposium) talk: ACS San Diego, March 2012, InChI Symposium http://cactus.nci.nih.gov/blog...
PDB Ligand Conformational Energies Calculated Quantum-Mechanically: Finally, it is “rolling out” – it was a lot... http://cactus.nci.nih.gov/blog...
Chemical Name Pattern Searching (or even more on chemical Name Searching): There is a new resolver module availa... http://t.co/inj44TiT
More on Name Resolving: First, we’d like to announce that we have updated OPSIN to version 1.1.0. Secondly, the... http://bit.ly/qhVhFU
MathJax is an open source JavaScript display engine for mathematics that works in all modern browsers. http://www.mathjax.org/
Slides of my Talk at the “9th International Conference on Chemical Structures”: Here are my slides for the talk ... http://cactus.nci.nih.gov/blog...
Using pychembl (3) – Parent Molecules & Active Molecules: A quite interesting table in ChEMBLdb, also linked to... http://cactus.nci.nih.gov/blog...
Using pychembl (2) – Table Relationships: Let’s continue the example from the pychembl(1) post where we loaded ... http://cactus.nci.nih.gov/blog...
Using ChemSpider ID as Chemical Structure Identifier: ChemSpider IDs are definitely an important identifier to s... http://cactus.nci.nih.gov/blog...
IUPAC Name Resolver: OPSIN + Chemical Identifier Resolver http://cactus.nci.nih.gov/blog...
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