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1、AdvancesinMathematicalChemistryandApplications(Volume1)EditedBySubhashC.BasakInternationalSocietyofMathematicalChemistry1802StanfordAvenue,DuluthMN55811andUMD-NRRI5013MillerTrunkHighwayDuluthMN55811USAGuillermoRestrepoLaboratoriodeQuímicaTeóricaUniversidaddePamplonakm1víaBucaramangaPamplona,No
2、rtedeSantanderColombia&JoséL.VillavecesUniversidaddelosAndesCarrera1No18A-12Bogotá,D.C.ColombiaCONTENTSForewordiPrefaceiiiListofContributorsxiAcknowledgementsxvCHAPTERS1.MathematicalStructuralDescriptorsofMoleculesandBiomolecules:BackgroundandApplications3SubhashC.Basak2.OrderingThinkinginChem
3、istry24GuillermoRestrepo3.OntheConceptforOverallTopologicalRepresentationofMolecularStructure42DanailBonchev4.TheFourConnectivityMatrices,TheirIndices,PolynomialsandSpectra76BonoLučić,IvanSovićandNenadTrinajstić5.TheUseofWeighted2DFingerprintsinSimilarity-BasedVirtualScreening92ShereenaM.Arif,
4、JohnD.HollidayandPeterWillett6.MOLGEN5.0,AMolecularStructureGenerator113RalfGugisch,AdalbertKerber,AxelKohnert,ReinhardLaue,MarkusMeringer,ChristophRückerandAlfredWassermann7.OnComparabilityGraphs:TheoryandApplications139MatthiasDehmerandLavanyaSivakumar8.BasicConceptsandApplicationsofMolecula
5、rTopologytoDrugDesign161JorgeGálvez,MaríaGálvez-LlompartandRamónGarcía-Domenech9.ConceptualDensityFunctionalTheoryofChemicalReactivity196PratimK.ChattarajandDebeshR.Roy10.Mathematical(Structural)DescriptorsinQSAR:ApplicationsinDrugDesignandEnvironmentalToxicology222MarjanVračko11.RecentAdvance
6、sintheAssessmentofDruglikenessUsing2D-StructuralDescriptors251HariharanRajesh,LakshminarasimhanRajagopalanandVellarkadN.Viswanadhan12.RoleofInSilicoStereoelectronicPropertiesandPharmacophoresinAidofDiscoveryofNovelAntimalarials,Antileishmanials,andInsectRepellents273ApurbaK.Bhattacharjee13.Mol
7、ecularTaxonomy306RayHefferlinSubjectIndex320iFOREWORDTotheedificeofMathematicalChemistry,anewbrickisbeingaddedbythepresentbook,editedbyS.C.Basak,G.RestrepoandJ.L.Villaveces.Duringthelastthreedecades,Dr.SubhashC.Basak’s(the“apostletoUSAa
