Publication | Open Access
A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks
24
Citations
70
References
2016
Year
Crystal StructureEngineeringLiquid CrystallinityComputational ChemistryChemistryMolecular DesignQspr StudyStructure DeterminationStructure ElucidationLc Phase FormationCrystal FormationBiophysicsMaterials SciencePhysicsCrystallographyCrystal Structure DesignFive-ring Bent-core MoleculesNatural SciencesMolecular PropertyDecision Trees
We present an approach for the prediction of liquid crystallinity of five-ring bent-core molecules. Reported classifiers can be also used for the estimation of influence of structural modifications on LC phase formation and its stability.
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