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MOPAC2016, new version released with improved handling for large molecules

ACS Workshop:  Next Generation Modeling & QSAR
Presented by Prof. Tim Clark,  6pm - 7.30pm, Tuesday 10th September 2013, LD Building, Rm 326T (3rd floor),  IUPUI Campus, Indianapolis, click for more info...

ACS Workshop:  Next Generation Modeling & QSAR
Presented by Prof. Tim Clark & Prof. Jürgen Brickmann.  Room 104A, Pennsylvania Convention Center, 6pm - 8pm, Tuesday 21st August 2012
    
OpenTox: An open-source web-service platform for toxicity prediction (ACS Presentation) David A Gallagher, Sunil Chawla, Barry Hardy, Wed. 30th March 2011, Anaheim, CA, USA
On-line ACS recording (slides & audio, 30mins)  click "VIEW" button to start

OpenTox publication: Collaborative development of predictive toxicology applications, B. Hardy et al,
Journal of Cheminformatics 2010, 2:7, Aug 2010 (doi:10.1186/1758-2946-2-7)    

ParaSurf and ParaFit from Cepos Insilico, distributed by CAChe Research, March 2010

PARAM, high-accuracy custom parameterization for MOPAC released October 2009

OpenTox - an EC funded FP7 Research Project (1 September 2008 - 2011)
OpenTox is a EC funded project to create an open source framework and unified access to toxicity data and QSAR (quantitative structure-activity relationships) models with supporting validation and interpretation.  Barry Hardy of Douglas Connect in Basel, Switzerland, is managing the project and coordinating the consortium of QSAR specialists which includes David Gallagher of CAChe Research.  OpenTox will address aspects of the REACH legislation and will extend access to non-animal-testing methods for toxicologists and other scientists who are not experts in QSAR.


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Events

ACS, Dallas, TX, 16-18 March 2014
CAChe Research will be exhibiting COSMOtherm, Turbomole, MOPAC, ParaSurf, caddle, etc.

ACS, San Francisco, CA, 10-12 August 2014
CAChe Research will be exhibiting COSMOtherm, Turbomole, MOPAC, ParaSurf, caddle, etc.

OPENTOX EURO 2014, 22 - 24 September 2014, Athens, Greece
ASSESSING THE SAFETY OF NANOTECHNOLOGY, 

AIChE, Atlanta, GA, 17-19 November 2014

CAChe Research will be exhibiting COSMOtherm, Turbomole, MOPAC, ParaSurf, caddle, etc.


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Press Releases

OpenTox - an EC funded FP7 Research Project (1 September 2008 - 2011) announcement


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Related links


     Free MOPAC2016 download for academics

     Cepos InSilico website (Europe)

     Virtua Drug's new web-based ligand-docking service (using MOPAC)

     OpenTox - an EC funded research project (official website)
 
 
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