Calculator Plugins User's Guide

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

Physico-chemical plugins

• pK_a Plugin
• Major Microspecies Plugin
• Isoelectric Point Plugin
• logP Plugin
• logD Plugin
• HLB Predictor
• Solubility Predictor
• NMR Predictor
• Tautomer Generation Plugin
• Stereoisomer Generator Plugin
• Stereo Analysis - calculating stereo descriptors
• CNS MPO Score Predictor
• BBB 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

• Elemental Analysis Plugin
• Topological Analysis Plugin
• Geometrical Descriptors Plugin
• Polar Surface Area Plugin 2D
• Molecular Surface Area Plugin 3D
• 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