Molecular Quantum Similarity in QSAR and Drug Design

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s, theHosoyaandRandicindices, ortheKier'sconnectivities, amongseveralnotsowellknownnumericaldataare usual reference descriptors. They are putatthe researchers' disposition, andare easily deducible from any molecular representation in form ofordered setsof numerical figures. All ofthem are profusely studied and employed in present times. The main idea consists into the useofthese numerical data in orderto obtaininformationonthemoleculartrendstopossessoracquirecertainproperties and, even better than this, to determine in which degree or intensity molecules presenteverything.