Plugin API usage examples

Plugin API usage examples can be found in the API doc headers of the corresponding plugin classes.

• ElementalAnalyserPlugin

• IUPACNamingPlugin

• Protonation

  • pKaPlugin

  • MajorMicrospeciesPlugin

  • IsoelectricPointPlugin

• Partitioning

  • logPPlugin

  • logDPlugin

  • HLBPlugin

• Charge

  • ChargePlugin

  • IonChargePlugin

  • PolarizabilityPlugin

  • OrbitalElectronegativityPlugin

• Isomers

  • TautomerizationPlugin

  • StereoisomerPlugin

  • StereoAnalysis

• Conformation

  • ConformerPlugin

  • MolecularDynamicsPlugin

  • AlignmentPlugin

• Geometry

  • TopologyAnalyserPlugin

  • GeometryPlugin

  • TPSAPlugin

  • MSAPlugin

• Solubility Prediction

  • SolubilityCalculator

• NMR Prediction

  • NMRCalculator

• Structural Calculations

  • HuckelAnalysisPlugin

  • RefractivityPlugin

  • HBDAPlugin

  • ResonancePlugin

  • StructuralFrameworksPlugin

• hERG Prediction

  • HergActivityPredictor
  • HergClassPredictor

• CNS MPO Score Prediction

  • CnsMpo

• Blood-Brain Barrier (BBB) Score Prediction

  • BBB