計算化學(xué)e-Science中化學(xué)數(shù)據(jù)庫管理工具的研究與實現(xiàn).pdf

1、蘭州大學(xué)碩士學(xué)位論文計算化學(xué)eScience中化學(xué)數(shù)據(jù)庫管理工具的研究與實現(xiàn)姓名：寧婷申請學(xué)位級別：碩士專業(yè)：計算機(jī)應(yīng)用技術(shù)指導(dǎo)教師：張瑞生20080501AbstractDuringthepastdecades，chemistrydatabasehasbecomeanindependenttoolforchemistsintheirdailyresearch。黝thedevelopmentofComputerAidedchemistr

2、yresearchtherecomesoutahugenumberofchemistrydatabasesInsomesense，theapplicationofdifferentdatabasesfacilitatestheresearchofchemists，whileinotherperspectives，thedifferentwaystoqueryandaccessamongdifferentdatabasepreventst

3、hechemistsfromshaIingthedataTherefore，itprovidesaunifieddataquerymethodforthechemists，withwhichtheaccessmethodsamongheterogeneouschemistrydatabasescailbeunified，thusincreasingtheefficiencyandeffectivenessofthechemistsDat

4、aisofcriticalimportancetothechemistryresearch11lechemistscallgetthedesireddatafromthedatabaseorfromtheexperiments11leproblembecomesnontrivialwhenthenumberoflocaldataaccumulatestocertainquantityforexample，howtoqueryandvie

5、wthedataandhowtoobtainthesimplepropertiesofthestructures，howefficientlythewayitistomanageandhandlethedatawilldirectlyaffecttheresultofresearchItisdesirableforthechemiststomanageandanalyzethelocaldatainaunifiedandefficien

6、tway11：lispaperfocusesonthetwoproblemswediscussedinthepreviousparagraphsWeresearchandanalyzethetypicalchemistrydatabasesandtheirmanagementtoolsandtherequirementsofunifieddatabasequeryandefficientwaytomanagethelocaldatath

7、enproposesapersonalizeddatabasemanagementtooltoresolvethetwoproblemsWiththistool，notonlyCanthechemistscreatelocaldatabasestoorganizeandmanagethedatainanefficientwaybutalsotheyCanqueryheterogeneouschemistrydatabasesinauni

8、fiedwayTIlispapermainlyimplementstheorganizingandmanagementofthelocaldatawiththeembeddeddatabaseDerbyandsomeopensourcechemicalinformationtoolkitstofulfillthestorageofthedataviewandeditofstructures，queryoftwodimensionsubs