Calculator Plugins User's Guide

You can find the User's Guide pages of each calculator plugin grouped below.

Physico-chemical plugins

pK_a Plugin

Major Microspecies Plugin

Isoelectric Point Plugin

logP Plugin

logD Plugin

Tautomer Generation Plugin

Stereoisomer Generator Plugin

Stereo Analysis - calculating stereo descriptors

NMR Predictor

Solubility Predictor

HLB 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