Calculator Plugins User's Guide
You can find the User's Guide pages of each calculator plugin grouped below.
Physico-chemical plugins
pKa Plugin
Major Microspecies Plugin
Isoelectric Point Plugin
log P Plugin
log D Plugin
HLB Predictor
Solubility Predictor
NMR Predictor
Tautomer Generation Plugin
Stereoisomer Generator Plugin
Stereo Analysis - calculating stereo descriptors
CNS MPO Score Predictor
hERG Predictor
Molecular modeling plugins
Charge Plugin
Orbital Electronegativity Plugin
Polarizability Plugin
Conformer Plugin
3D Alignment Plugin
Molecular Dynamics Plugin
Structural property plugins
Topological Analysis Plugin
Geometrical Descriptors Plugin
Polar Surface Area Plugin 2D
Molecular Surface Area Plugin 3D
Elemental Analysis Plugin
Structural Frameworks Plugin
Hydrogen Bond Donor Acceptor Plugin
Hückel Analysis Plugin
Refractivity Plugin
Resonance Plugin
Markush Enumerator Plugin
Other manual pages related to the plugins
Training the Calculator Plugins
cxcalc command line tool
Background materials