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Markus Sitzmann
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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...
October 31
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We shut down now: See you soon
http://cactus.nci.nih.gov/blog...
October 29
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Hurricane Sandy: Because of Hurricane Sande, we (probably) are going to shutdown our web server, cactus.nci.nih....
http://cactus.nci.nih.gov/blog...
October 29
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CIRpy – A python wrapper for the Chemical Identifier Resolver: Matt Swain has written a nice python wrapper for ...
http://cactus.nci.nih.gov/blog...
April 2, 2012
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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...
March 30, 2012
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Slides of my ACS San Diego (InChI Symposium) talk: ACS San Diego, March 2012, InChI Symposium
http://cactus.nci.nih.gov/blog...
March 30, 2012
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PDB Ligand Conformational Energies Calculated Quantum-Mechanically: Finally, it is “rolling out” – it was a lot...
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February 7, 2012
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Chemical Name Pattern Searching (or even more on chemical Name Searching): There is a new resolver module availa...
http://t.co/inj44TiT
December 15, 2011
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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
July 11, 2011
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MathJax is an open source JavaScript display engine for mathematics that works in all modern browsers.
http://www.mathjax.org/
June 30, 2011
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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...
June 17, 2011
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Andrew Lang
,
Egon Willighagen
,
Rajarshi Guha
and
Jean-Claude Bradley
liked this
Using pychembl (3) – Parent Molecules & Active Molecules: A quite interesting table in ChEMBLdb, also linked to...
http://cactus.nci.nih.gov/blog...
May 23, 2011
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Using pychembl (2) – Table Relationships: Let’s continue the example from the pychembl(1) post where we loaded ...
http://cactus.nci.nih.gov/blog...
May 20, 2011
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Using ChemSpider ID as Chemical Structure Identifier: ChemSpider IDs are definitely an important identifier to s...
http://cactus.nci.nih.gov/blog...
May 17, 2011
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IUPAC Name Resolver: OPSIN + Chemical Identifier Resolver
http://cactus.nci.nih.gov/blog...
April 19, 2011
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