CAChe Research
   Computer-Aided Chemistry & Biochemistry
Thermodynamic Property Prediction from



•  Solubilities, Phase Equilibria, etc.
•  Ionic Liquids Modeling
•  Micelle & Biomembrane Modeling
•  Sigma-profile Similarity Screening
•  High-throughput Screening (ADME)
           
COSMOlogic's unique software tools
predict thermodynamic & physical
properties of mixtures, including phase
equilibria and solubilities, and are widely             

used in chemical process engineering,                            Sigma-profiles provide insight into
environmental chemistry, & life sciences.                   
miscibility, solubility & ADME properties 


____________________________________________________________________________


              Chemical and physical property prediction from

                  electronic properties of molecular surfaces

                                         by

•  Cytochrome P450 drug metabolism prediction
•  Ligand docking - improved accuracy
•  3D QSAR & QSPR - novel electronic descriptors
•  Chemical & physical property prediction...


____________________________________________________________________________


                                             TURBOMOLE                       new release Oct 2009

                         DFT & ab initio quantum chemistry program designed for speed
                         and robustness to deal with practical applications including large
                         molecules and condensed phase simulation.


____________________________________________________________________________


                                               MOPAC2009                       new release Nov 2009

Fast, accurate property prediction from the most widely
used semiempirical quantum chemistry package, now
with the new PM6 method and giant molecule capability.
FREE for academics!



____________________________________________________________________________


                            Computer-aided chemistry consulting

CAChe Research offers computer-aided chemistry and biochemistry consulting services, from advice and training on the application of computational methods to help solve particular research problems, to performing complete research projects. CAChe Research is able to call on the skills and experience of leading experts from both industry and academia. CAChe Research has extensive experience in applying methods such as molecular mechanics, dynamics, semiempirical quantum chemistry, density functional, ab initio, ligand-protein docking, and QSAR, to solve real chemistry problems.


____________________________________________________________________________

                                                          Partner Links  
What happened
to CAChe?
CAChe Research offers chemistry software and consulting to:

• Improve profitability
by accelerating R&D
and time-to-market

• Reduce development
cost by prescreening
candidate compounds

• Test new ideas before committing
laboratory resources

• Gain new chemistry insights to help solve the tougher problems
Turbomole Training &
User Group Mtg
23 Mar 2010
San Francisco
______________________________________________________________________________________________________

Home  |  SW Products  |  COSMOlogic  |  TURBOMOLE  |  MOPAC  |  CEPOS  |  Consulting  |  Resources  |   Contact us  |  News

COSMOtherm Bibliography  |  ACS/AIChE Talks  |  What happened to CAChe?  |  DAG Bio  |  CCL Posts

While every effort is made to maintain accuracy of information on this web site,
no liability is accepted for errors, omissions or out-of-date information.
Copyright © 2010 CAChe Research, Web site by Fantasia Marketing

______________________________________________________________________________________________________