pKa,CLogP,andCMR
SpecificalgorithmsforcalculatingLogPandmolarrefractivityfromfragment-basedmethodsdevelopedbythe
MedicinalChemistryProjectandBioByte.Formoreinformation,seehttp://www.biobyte.com/blqsar/index.html.
LogPandCLogPestimatetheOctanol/WaterPartitionCoefficient,butusedifferentmethods.
CLogPandCMRarecalculatedaspartoftheChemicalPropertieswindow.SeveralothersourcesexistforLogP
data,however:
TheChemBioDrawReportWindowforLogPPrediction:TheChemicalPropertieswindowshowsaveraged
LogPandMRvalues.Viathe"Report"button,youcanseetheoriginalvaluesfromeachapplicableestimation
method.TheestimationmethodsareCrippen'sfragmentation,Viswanadhan'sfragmentation,andBroto's
method.
TheChemBioDrawReportWindowforLogPEmpiricalData:Forselectedsubstances,theChemicalProp-
ertieswindow'sReportbuttonincludesasection"DatafromDatabase,"whichincludesmeasuredvaluesofthe
partitioncoefficientandpKavalues,atspecifiedpHlevels,withsourcecitations.
TheChemBioDrawChemBioFinderHotlinkWindow:SeveralavailabledatabasesincludeLogPandpKa
information,including:
--ChemSpider(fromInChIlink)predictsseveralvariationsofLogPandLogD
--ChemINDEX(PhysicalPropertiessection,EnvironmentScienceCenterdatabase)includesempiricalpKaand
LogPdata
ChemDraw/Excel
TheChemDrawadd-inmoduleinMicrosoftExcelpredicts:
LogP(functionCHEMPROPPRO_LOGP)
CLogP(functionCLOGP_DRIVER_PARTITION_COEFFICIENT)
MR(functionCHEMPROPPRO_MOL_REFRACTIVITY)
CMR(functionCLOGP_DRIVER_MOL_REFRACTIVITY)
ChemBioFinder/ChemBioViz
ThePropertyPopulatorpredicts:
LogP(serverChemPropPro,propertyLogP)
CLogP(serverCLogPdriver,propertyPartition_Coefficient)
MR(serverChemPropPro,propertyMolRefractivity)
CMR(serverCLogPdriver,propertyMolRefractivity)
ChemBio3D
ThePropertyPickerpredicts:
LogP(ChemPropProLogP)
CLogP(CLogPdriverPartitionCoefficient)
MR(ChemPropProMolRefractivity)
CMR(CLogPdriverMolRefractivity)
ChemBioDraw14.0
Chapter17:PropertyCalculations
291of315
Pdf rotate just one page - rotate PDF page permanently in C#.net, ASP.NET, MVC, Ajax, WinForms, WPF
Empower Users to Change the Rotation Angle of PDF File Page Using C#
pdf rotate single page; reverse page order pdf
Pdf rotate just one page - VB.NET PDF Page Rotate Library: rotate PDF page permanently in vb.net, ASP.NET, MVC, Ajax, WinForms, WPF
PDF Document Page Rotation in Visual Basic .NET Class Application
how to rotate page in pdf and save; rotate pages in pdf online
TheChemBio3DMOPACInterface
CalculatesthepKaofthemostacidichydrogenatomattachedtoanoxygen.Formoreinformation,see
http://www.openmopac.net/pKa_table.html.
Formoreinformation,"ChemDraw/ExcelFunctions"onpage188,"LogP"onpage290,"PropertyCalculations"on
page290,and"pKa,CLogP,andCMR"onpage291.
TopologicalPolarSurfaceArea
Thepolarsurfaceareaofamolecule(measuredinsquareangstroms)canbeusedtopredictofpharmaceuticaltrans-
portpropertiesinthebody.ChemBioDrawimplementsamoreinnovativealgorithm.Historically,thispropertyhas
beencalculatedusingtime-consuming3Dtechniques.However,arecentpaperprovidedaremarkablyaccurateway
ofpredictingitrapidly.
OtherProperties
NormalBoilingPointandMeltingPoint
EstimatedinKusingtwomethods:
MethodOne:Joback'sfragmentationmethod
MethodTwo:Joback'sfragmentationmethodasmodifiedbyStein.Allboilingpointsareestimatedforapressure
of1 atm.
MiscellaneousProperties
HeatofFormation,GibbsFreeEnergy,IdealGasThermalCapacity,FreezingPoint,CriticalTemperature,Critical
Pressure,andCriticalVolumeareestimatedusingJoback’sfragmentationmethod.
ChemBioDraw14.0
Chapter17:PropertyCalculations
292of315
C# PDF: C# Code to Process PDF Document Page Using C#.NET PDF
Able to separate one PDF file into two PDF PDF page processing functions by just following attached C# PDF Page Processing: Rotate PDF Page - detailed guidance
how to rotate pdf pages and save permanently; rotate individual pages in pdf reader
C# PDF Page Move Library: re-order PDF pages in C#.net, ASP.NET
library control, developers can swap or adjust the order of all or several PDF document pages, or just change the position of certain one PDF page in an
pdf save rotated pages; save pdf rotate pages
ChemBioDraw WebResources
ThePerkinElmerInformaticsWebsiteisavaluablesourceofhelpfulinformation.Youcan:
Registeryoursoftware.
SearchforchemicalinformationbynameorACXnumber;or,insertastructureintoaworksheet.
Gettechnicalsupport,documentation,softwaredownloads,andmore.
YoucannavigatetothesitedirectlyfromChemBioDrawbyselectingtheappropriateoptionintheSearchmenu.
RegisteringOnline
ToactivateanyChemBioOfficeapplication,registerwiththePerkinElmerInformaticsWebsitetoreceivearegis-
trationcode.Uponfillingoutaregistrationform,youwillreceivearegistrationcodebye-mail(thisdoesnotapplyto
sitelicenses).
IfyourserialnumberisinvalidoryoudonothaveanInternetconnection,contactPerkinElmerInformaticsSupportto
receivearegistrationcode.
YoumayuseyourChemBioOffice2014applicationsalimitednumberoftimeswhilewaitingfortheregistrationpro-
cesstofinish.Afteryoureachthelimit,youmustregisterthesoftware.
Inadditiontoregisteringyoursoftware,youcanrequestliterature,orregisterforlimitedfreeaccesstoChemBioFinder-
.com,ChemACX.com,andthee-maileditionofChemBioNews.Toregisteronline,navigatetoSearch>Register
Online.TheuserregistrationWebpageopensinyourbrowser.
User’sGuide
TheSearchmenualsoletsyoufindcurrentandpreviousversionsofthedocumentation.Toaccessthedoc-
umentationpage,navigatetoSearch>BrowsePerkinElmerDocumentation.
TheDesktop>>SupportDocumentationWebpageappears.SelecttheManualslink.
Note:IfyoudonothaveaPerkinElmerInformaticsuseraccount,youwillfirstbedirectedtoasign-uppage.
TechnicalSupport
TheSearchmenulinkBrowsePerkinElmerTechnicalSupportopenstheTechnicalSupportWebpage.Hereyou
canfinddesktopsupportresources,includingthePerkinElmerInformaticsKnowledgeBase,productdownloads,
FAQ,anddocumentation.
1. NavigatetoSearch>BrowsePerkinElmerTechnicalSupport.TheTechnicalSupportWebpageopens.
2. ClickDesktopSupport.
SuppliersonChemACX.com
ChemACX(AvailableChemicalsExchange)providesadatabaseofcommerciallyavailablechemicals.Thedatabase
containscatalogsfromresearchandindustrialchemicalvendors.
TolinktotheChemACX.comrecordofsuppliersforcompoundsthatyoudraw:
ChemBioDraw14.0
Chapter18:ChemBioDrawWebResources
293of315
Process Images in Web Image Viewer | Online Tutorials
Easy to rotate the current picture or file page through just a button click; Commonly used document types are supported, including PDF, multi-page TIFF and
how to rotate pdf pages and save; reverse pdf page order online
VB.NET Create PDF Library SDK to convert PDF from other file
be easily integrated into many MS Visual Studio .NET applications to create PDF with just a few VB.NET: Create a New PDF Document with One Blank Page.
rotate pdf page and save; how to rotate one pdf page
1. InChemBioDraw,selectastructureyouhavedrawn.
2. NavigatetoSearch>FindSuppliersonChemACX.com.TheChemACX.compageopenswithinformation
abouttheselectedstructure.
FormoreinformationonusingtheChemACXWebsite,seetheChemOfficeEnterpriseWorkgroup&Databases
Guide.
ACXStructuresandNumbers
ChemBioDrawsearchesACXandreturnsinformationaboutrelatedstructuresandnumbers.Youcanplacethe
returnedinformationinyourdocument.
ACXStructures
TherearetwowaystofindACXstructures,byACXnumberorbyname.
TofindastructurebyACXnumber:
1. NavigatetoSearch>FindStructurefromACXNumber.TheFindStructurefromACXNumberdialogappears.
2. TypetheACXregistrynumberinthedialog.
3. ClickOK.Thestructureappearsinyourdocument.
Tofindastructurebyname:
1. NavigatetoSearch>FindStructurefromNameatChemACX.com.TheFindStructurefromNamedialog
appears.
2. Typeeitherachemicalnameortradenameinthedialog.
3. ClickOK.Thestructureappearsinyourdocument.
ACXNumbers
ToFindanACXnumberforastructure:
1. Selectthestructure.
2. NavigatetoSearch>FindACXNumbersfromStructure.TheACXnumberappearsintheFindACXNumbers
fromStructuredialog.
ChemBio3DActiveXControl
TheChemBio3D
ActiveX
Control
pageprovidesChem3DPlugin/ActiveXdocumentationforendusersaswellas
administrators(webdevelopers)whowanttoincorporatethecontrolswithintheWebpages.
SciStore.com
SciStoreofferslifesciencedesktopsoftware,enterprisesolutions,chemicaldatabases,andconsultingservicesto
biotechnology,pharmaceutical,andchemicalindustries.TovisitSciStore,navigatetoSearch>BrowseSciStore.-
com,orvisitSciStoreatwww.scistore.com
.
ChemBioDraw14.0
Chapter18:ChemBioDrawWebResources
294of315
VB.NET PDF Page Extract Library: copy, paste, cut PDF pages in vb.
functions, including extracting one or more page(s) from PDF document. To utilize the PDF page(s) extraction function in VB.NET application, you just need to
rotate one page in pdf reader; rotate all pages in pdf
VB Imaging - VB MSI Plessey Barcode Tutorial
Resolution = 96 'set rotation barcode.Rotate = Rotate.Rotate0 barcode 100F, 100F)) docx.Save("C:\\Sample_Barcode.pdf"). Below is just an example of generating an
rotate pdf page permanently; pdf rotate pages separately
PerkinElmerInformatics
ToopenthePerkinElmerInformaticsHomepage,navigatetoSearch>BrowsePerkinElmer.com.Checkthe
PerkinElmerInformaticsWebsitefornewproductinformation.YoucanalsovisitChemNews.Com,andotherpages
throughPerkinElmerInformaticsHomepage.
UsingtheChemOfficeSDK
TheChemOfficeSoftwareDeveloper’sKit(SDK)letsyoucustomizeyourapplications.
TobrowsetheChemOfficeSDK,navigatetoSearch>BrowseChemOfficeSDK.
TheChemOfficeSDKpagecontainsdocumentation,samplecode,andotherresourcesfortheApplicationPro-
grammingInterfaces(APIs).
QueryingSciFinder
®
withChemBioDraw(UltraFeature)
SciFinder
®
isaresearchdiscoveryapplicationcreatedbyCAS(ChemicalAbstractServices)thatprovidesintegrated
accesstotheworld'smostcomprehensiveandauthoritativesourceofreferences,substances,andreactionsinchem-
istryandrelatedsciences.
ChemBioDrawprovidesaninterfacetosearchSciFinder
®
withqueriescreatedonthedesktop.SendaChemBioDraw
structureorreactionquerytoSciFinder
®
usingoneofthefollowingmethods:
ClicktheSciFinder
®
icononthemainhorizontaltoolbarundermenubar.
NavigatetoSearch>SearchSciFinder.
Note:TheSciFinder
®
iconandSearchmenuitemwillbegrayedoutunlessthestructure(s)beingqueriedisselec-
ted.
TheSearchSciFinderdialogwindowopens.Ifyouhaveselectedastructure,ormultiplestructures,youwillseethe
followingwindow:
ChemBioDraw14.0
Chapter18:ChemBioDrawWebResources
295of315
VB.NET TIFF: Rotate TIFF Page by Using RaterEdge .NET TIFF
specific formats are: JPEG, PNG, GIF, BMP, PDF, Word (Docx the target TIFF page(s) accurately and quickly; Rotate single or TIFF page(s) at one time just as you
pdf expert rotate page; how to rotate a page in pdf and save it
C# Imaging - C# MSI Plessey Barcode Tutorial
96;// set resolution barcode.Rotate = Rotate.Rotate0;// set 100F, 100F)); docx.Save(outputDirectory + "Sample_Barcode.pdf"); }. Below is just an example of
rotate a pdf page; rotate pdf pages in reader
Youcannowchoosewhetheryouareinterestedinasubstructuresearchoranexactsearchofthesubstancesdata-
base,or,ifyouwanttosearchthereactiondatabase,whetherselectedstructure(s)isareactantoraproduct.Allreac-
tionsearchesaresubstructuresearches.
Ifyouhaveselectedanentirereactionsequence,thefollowingwindowwillopentoconfirmyourreactionsearch.
PressOKandSciFinder
®
willbelaunchedtoretrievetheresultsofyoursearchanddisplaytheminabrowserwin-
dow.
IfyousubmitasecondorlatersearchtoSciFinder
®
,youwillseeanintermediatescreenwarningthatyoualready
haveaSciFinder
®
answerset.Toproceedwiththelatestsearch,clickOK.
Note:Forasearchtoproceed,youmust:
BeconnectedtotheInternet
ChemBioDraw14.0
Chapter18:ChemBioDrawWebResources
296of315
VB.NET Word: How to Process MS Word in VB.NET Library in .NET
How to Rotate, Merge Word Documents Within VB.NET of the web page, here we just describe each Word powerful & profession imaging controls, PDF document, image
permanently rotate pdf pages; how to rotate one page in pdf document
C# Image Convert: How to Convert MS PowerPoint to Jpeg, Png, Bmp
RasterEdge.XDoc.PDF.dll. The last one is for rendering PowerPoint file to raster image Gif. This demo code just converts PowerPoint first page to Gif image.
how to reverse page order in pdf; pdf reverse page order online
HaveavalidSciFinder
®
individualsubscriptiontoaccessthedatabase.
Note:IfyoursubscriptionisthroughauniversityandutilizesaproxyservertoconnectyoutoSciFinder
®
,you
mustclicktheProxySettingsbutton(Windows),orthearrownexttotheProxyserverindicatorline(Mac)and
entertheproxyserverURLfortheaccountyouareusing.Thiswillonlybenecessaryforthefirstsearchyourun.
IfyouarenotloggedinordonothaveavalidSciFinder
®
subscription,youwillberedirectedtothemainSciFinder
®
page.Thereyoucaneitherloginorfindinformationabouthowtosubscribe.Someoftheadvancedstructurequery
creationcapabilitiesofChemBioDrawcannotbefullyinterpretedbySciFinder
®
.Whenyourquerycontainsspe-
cificationsthatSciFinder
®
cannothandle,itwilltrytosimplifyandinterpretthemtothebestofitsability,andwill
displayawarningmessage.TheinterpretedsearchstructurewillbedisplayedintheSciFinder
®
sketcherforfurther
manipulationasneededbeforestartingthesearch.Iftheresultsobtainedarenotappropriate,pleasecontactCus-
tomerSupportatCAS,orPerkinElmer,andtheywilltrytoaddresstheissueand/orproposeanalternatequerythat
mightachievetheresultsyouseek.
Someadditionalinformationaboutsearching:
Ifyouselectamoleculewithinareaction,youcanstillspecifyasearchofthesubstancesdatabase,ratherthana
searchofthereactiondatabase.
Youcanselectaportionofamoleculeasyoursearchentity.Itwillbetreatedjustlikeanentiremoleculeforexact
orsubstructuresearching.Iftheselectionconsistsofmorethanonefragment,thesewillbetreatedasindependent
moieties,allofwhichmustbecontainedwithintheCAS recordinorderforittoberegisteredasahit.
Multi-stepreactionsormultiplereactions,inasinglesearch,arenotsupported.Eachstepinthereactionsequence
mustbesearchedseparately.
ChemBioDraw14.0
Chapter18:ChemBioDrawWebResources
297of315
Tutorials
Thetutorialsillustratefundamentaldrawingtechniques.Eachtutorialintroducesnewtechniques,orvariationsoftech-
niquesfromprevioustutorials.We,therefore,suggestthatyoufollowthetutorialsinorder.
Beforeyoubegin,review"ConventionsusedinthisGuide"onpage1tofamiliarizeyourselfwiththeterminology.
ChemBioDrawchecksforcorrectchemicalsyntaxasyoudraw.Ifthereisanerror,aredboxappearsaroundtheerro-
neousobject(theredboxdoesnotprint).Todisabletheredboxonaspecificobject,right-clicktheobjectand
deselectDisplayWarningsonthecontextmenu.
Tutorial1:DrawingaStructure
Inthistutorial,weexplainhowtodrawthisstructure:
Ifyouwantthewantthebondanglesandlengthstobefixed,navigatetoObject>FixedLengthsandFixedAngles.
Thisensuresthatbondlengthsandbondanglesareconsistentthroughoutthestructure.
Note:ThefixedlengthdimensionissetintheDrawingtaboftheDocumentSettingsdialog.Thefixedangledimen-
sionincrementsanglesby15degrees.
Tocreatebonds:
1. NavigatetoView>ShowMainToolbar.
2. OntheMaintoolbar,selecttheSolidBondtool.
3. Clickinthedocumentwindow.Abondappears.
4. Toaddasecondbond,clicktheright-endofthebondyoujustcreated.
Thetwobondsforma120-degreeangle.
Note:Thechainanglesettingdeterminestheanglebetweenthetwobonds.Tochangethechainangle,see"Draw-
ingSettings"onpage24.
5. Tocreateatertiarycarbon,clickthesameplace,asshowninstep4above.
ChangingBondOrder
Tocreatethedoublebond,eitherhoveroverthecenterofthebondandtype"2"orclickonthebond.
ChemBioDraw14.0
Chapter19:Tutorials
298of315
AddingAtomLabels
1. UsingtheTexttool,clicktheendofthedouble-bondshownbelow.Atextboxappearsattheendofthebond.
2. TypeanuppercaseOinthetextbox.
3. Pressthe<Esc>keyonyourkeyboardtoclosethetextbox,orchoosinganothertool.
4. Analternativeishoverovertheatomattheendofthedoublebondandhitthe"o"key.ThisisutilizingtheHotkey
functionalityofChemDraw(seeChapter
5
Shortcuts
and
Hotkeys
).
AddingCaptions
Tonamethemolecule:
1. UsingtheTexttool,clickbelowandtotheleftofthestructure.Atextboxappears.
2. Inthetextbox,type“2-propanone”.
3. Pressthe<Esc>keyonyourkeyboardtoclosethetextbox,orchooseanothertool.
Tutorial2:Drawingrings
Inthistutorialyouuseringstocreatethisstructure:
Tocreatetheringsystem:
1. UsingtheBenzenetool,SHIFT-clickinanemptyareaofthedocument.
Note:HolddowntheSHIFTkeytochangeresonancestructureswhenusingthecyclopentadieneorbenzenetools.
2. Pointtothecenterofthelowerrightbondinthebenzenering.
3. Clicktofuseanotherring.
ChemBioDraw14.0
Chapter19:Tutorials
299of315
4. Inthefinalstructure,thereisonlyonedoublebondinthesecondring.Tocorrectthecurrentstructure,hoverthe
mouseoveroneofthedoublebondsinthesecondringandtype‘1’.Dothesamefortheotherdoublebond.
Figure19.1:Tochangethebondorder,type‘1’.
5. Tocreatethedoublebondinthesecondring,eitherhoverthemouseoverthebondandtype‘2’orclickit.
6. Usingthebondtool,clickthecarbonatomscircledinthefigurebelow.Threenewbondswillappear.
7. Hoveryourmouseoveroneofthebondshownbelowandtype‘2’.Dothesamefortheotherbond.
ChemBioDraw14.0
Chapter19:Tutorials
300of315
Documents you may be interested
Documents you may be interested