New in 2012 through 2017
August 2012: ChemicaElectrica Gateway is released for the
first time replacing the ChemicaElectrica Database. New features
include a 3-d drawing program with the MM2 minimizer and MOPAC geometry
optimization, substructure and similarity searching, internet
connectivity and flexible menus. A new low price is also introduced for
this product. See our ChemicaElectrica Gateway
web page for details.
To ChemicaElectrica database added the following:
Added sodium bisulfite and related. Added some sugars and sweeteners.
Added sulfur oxides. Updated all pesticides in ChemicaElectrica
Added rule of five calculations to ChemicaElectrica capabilities.
Added household products database to ChemicaElectrica database.
Upgraded dimensions routine in MMP and MMP+. Added upgraded dimensions routine to ChemicaElectrica.
Added new automatic molecule with molecule interaction routines to MMP+.
Bug fixed to substructure search routine in Drawing Window (Database window working fine.)
ChemicaElectrica Version 2.3 released.
Added new drugs with USAN names through mid-February to ChemicaElectrica
database. Added compounds on EPA list of safer ingredients to
ChemicaElectrica database. Compound count now over 9000.
ChemicaElectrica Version 2.3.1 released.
Added new drugs with USAN names through November to ChemicaElectrica database. Compound count now over 10000.
MMP+ Version 7.0 released
Added new drugs with USAN names through December 2016 to ChemicaElectrica database. Compound count now about 10400.
Added new drugs with USAN names through December 2017 to ChemicaElectrica database. Compound count now about 10700.
December 2017. Version 8 released.
Added new method for automated generation of substructure fragment QSAR models
Go here for details.
Improved the Stepwise Regression Model
New proprietary methods for boiling point, log Kow and specific gravity
Brute force regression: added ability to subset by molecular weight
Brute force regression: added ability to subset by organic atom types only
Changed output of Surfactant property routine to Notepad
Added molecular similarity comparison to output of Surfactant property routine
Added vanKrevelen method for MR and dielctric constant calculation to Polymer calculation routine
Added ability to calculate 3-D structures from canonical SMILES notation (File menu)
Fixed severe bug in the Surfactant property routine when more than one molecule drawn
March 2018. Version 8.1 of MMP released.
The substructure fragment QSAR modeler has new features: a) added an option to calculate cross-products and squares of the independent variables; b) added option to divide all significant independent variables by each other; c) added the ability to go back and forth iteratively through the different features of the model.
These same new features were added to the Stepwise Regression Modeler.
A new community sharing web page was made for sharing models made with the Automated substructure modeler.
ChemicaElectrica was updated. There are over 11,000 molecules in the database now.