内容简介
LeadingexpertsillustratehowsophisticatedcomputationaldataminingtechniquescanimpactcontemporarydrugdiscoveryanddevelopmentIntheeraofpost-genomicdrugdevelopment,extractingandapplyingknowledgefromchemical,biological,andclinicaldataisoneofthegreatestchallengesfacingthepharmaceuticalindustry.PharmaceuticalDataMiningbringstogethercontributionsfromleadingacademicandindustrialscientists,whoaddressboththeimplementationofnewdataminingtechnologiesandapplicationissuesintheindustry.Thisaccessible,comprehensivecollectiondiscussesimportanttheoreticalandpracticalaspectsofpharmaceuticaldatamining,focusingondiverseapproachesfordrugdiscovery--includingchemogenomics,toxicogenomics,andindividualdrugresponseprediction.Thefivemainsectionsofthisvolumecover:Ageneraloverviewofthediscipline,fromitsfoundationstocontemporaryindustrialapplicationsChemoinformatics-basedapplicationsBioinformatics-basedapplicationsDataminingmethodsinclinicaldevelopmentDataminingalgorithms,technologies,andsoftwaretools,withemphasisonadvancedalgorithmsandsoftwarethatarecurrentlyusedintheindustryorrepresentpromisingapproachesInoneconcentratedreference,PharmaceuticalDataMiningrevealstheroleandpossibilitiesofthesesophisticatedtechniquesincontemporarydrugdiscoveryanddevelopment.Itisidealforgraduate-levelcoursescoveringpharmaceuticalscience,computationalchemistry,andbioinformatics.Inaddition,itprovidesinsighttopharmaceuticalscientists,principalinvestigators,principalscientists,researchdirectors,andallscientistsworkinginthefieldofdrugdiscoveryanddevelopmentandassociatedindustries.
作者简介
KonstantinV.BalakinisHeadoftheLaboratoryofInformationTechnologyinMedicinalChemistryattheInstituteofPhysiologicallyActiveCompoundsattheRussianAcademyofSciences.HeisalsoDirectorofthescientificconsortium"Orchemed"(OrganicChemistryandMedicine),whichcurrentlyincludes11Russianacademicinstitutesworkinginthefieldoforganic,medicinalandbiologicalchemistry,anddrugdiscovery.Previously,hewasHeadoftheComputationalChemistryDepartmentatChemDiv,Inc.?Dr.Balakin?istheauthororcoauthorofmorethan90peerreviewedresearcharticles,reviews,andbookchapters.HeistheprincipaldeveloperoftheSmartMiningandInformaGenesissoftwaretools,whicharespecialprogramsforpharmaceuticalmultivariatedatamining.