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SOARING BEAR Ph.D. Pharmacology
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Scientific advisor to the health professions & herbal industry
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Chemistry

Educational & Tutorial: Reusch - Reusch - VirtualOrgChem (Reusch-MSU) - ReuschMSU - HutchinsonRiceCoursera - courseraUI - MIT - MITvideolectures - Berkeley - ClarkChemguide - AdvOrgChem (Evans-Harvard) - VirtualChembook(Ophardt-Elmhurst) - Orgwikibooks - Carey - chemwikiDavis - SoderbergDavis - Chemistry Principles - KhanVideos - merlot - chemtutor - curriki - wikibooks - woodcock - molec universe - chemvc - chemedDL - chemprime - YoungUIC - BlaberFlaStU - collective - teaching with cache - Ox - EpochOrgChem - OrgChemonline - chemspy - Hutchinson - Avogadro number (Murrell) - thermodynamics (Murrell) - solar energy theory (Bahcall) - orgChemtutorial&cards - ACSchemalive - chemcollective - assign - rhodes -NIHredox - MITchem - orgchem(Alberta) - chemweb journals,db,books - org chem Bradley Drexel - cheminfoSousa - ACSmeeting - Path2Synth - chempaths - AstonisCompEx - csd - SizePerspective - advancedOrgipad - openedu - mooclist -

ChemDigIndexingRzepa -
google structure files: http://www.google.nl/search?as_q=benzene&as_filetype=mol

Pubchem: Pubchem - PubchemAdvSearch - help - wiggins - IUutil - pubchem2acd - chemMedlineTutorial - download - downloadftp - aboutPubchem - PubChem - PubChem advisory FedRegister9/1/05 - Zerhouni on PubChem - Bryant04 - Bryant07 - PMRustcriticism - sourceDB - hibernateAPI - API - Bolton - sketcherIhlenfeldt - NAR - NAR - Tolliday06 - Inglese06 - bioassay -
link format: http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pcsubstance&term=malagashanine
Pubchem User Gateway Mining: Eutil - EUtilwebsvc - PUG - pugsoap - FiehnUCRutil - Fiehn - pubchemIU - pubchemBioruby - pubchemsmilesRuby - kracked - Willighagen - rdfchem - bioguid - PubchemStrangenessCorbett - PubchemStrange - 3Dview -
ChemID.NLM 300k (http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?name=bw-755c or regno=) -
Pubchem Mining: pubchemSR - pubchemSR - pubchemSR(IU) -ppubcouch - couch - couch - pubchemDescriptorsCommode - Commode -
Cheminformatics: cheminformatics - rdfwiki - rdfchem - cactustools - RDKit - RDKit - RDKit - WigginsCourse - cheminformorg - ChemInfLett - Bioclipse - chembiogrid - wikiproteins - greasemonkey - reflectHighlighter - GGAbingo - chemspell -

Molecular structures: Apodaca07 - Nicklaus01 - proteins(biochem) - chemdraw - elements - Wiggins -
 for interactions see biochem Interactions Big with Small

site focus # 000 2D 3D inchi smiles logP RN

mp bp

stru sim activ link formats notes owner software
PubChem - PubChem - biomed
10000
*   * * * *   * * * gif sdf xml asn   NIH chemaxon
NCI-CSLS - chollaCSLS?   27000                            
Pub3d - synRSS biomed
8000
                           
chemmineUCRiv agric
7000
                           
ChemdbUCIrvine  
4000
                           
chemspider   10000 *   * * *   *       png     ACD
Zinc dock
4000
                    mol   Shoichet UCSF  
chmoogle - emolecules sales
7000
*     *   *         gif suppliers    
darwin acad
4000
                    pdb   JHopkin  
chembank - chembank SAR
1000
*     *       * *       harvard daylight
chemicalizeChemaxon                                
orgchem sales
1000
*         *       * gif mol mw    
ChEMBL activ 1200                         EMBL  
chemfrog sales 1000                            
ochem  
500
*                          
webreactions synth
400
                           
ChemID biomed
400
*         *   *   * sdf   NIH chemaxon
CrystalEye(firefox) xtal
100
                           
CrystalOD xtal
65
                      cif    
NIAID HIV
115
*       * *   *     gif marvin logP Hbonds NIH chemaxon
NCI cancer
300
*     *                 NIH  
KEGGligand path
14
*                   gif   jp  
chemExper sales
200
*           *       mol     JME
chemFinder - CF - CF  
200
*         * *     * gif free reg CSC  
metlinMS metab
60
                           
NISTwebbook  
50
* * *   * * *       gif mol      
NIMHpsych Ki
50
                           
SuprNatural - SuprDrug -  
50
                           
Knapsack Plants  
50
* *                 gif mol      
Crystallography xtal
15
  *                 CIF3-D      
Bell vt Organic  
3
                      properties    
recipro xtal
2
  *                     IU-NSF JaMM java
CAScommon  
10
          *       * png      
sigmaaldrich     *         *         gif properties    
idbs - idbs                     *          
brendaEnzSubstrate  
40
                           
acros sales
20
*         * *       mol msds acros JME
ChinHerbMol(sbnihj) herb
10
* *   *           * sdf   Wang UMich chemaxon
chromadex herb
10
                           
ChEBioInterest prot
30
                      kegg pdb chemid nist EBI  
sweetlead drug
5
                           
ACD  
                        acd chime, IE5only
chemdiv  
750
                           
medichem$ bioch
500
*     *         *       CambridgeSoftGVK chemdraw
Chemnavigator$ Chemnav  
27000
                           
Bender datasets SAR                              
Steinbeck NMR
15
  *                 jmol      
Tsukuba  
32
*         *         gif      
WombatOprea$  
120
                           
PDBligand  
7
  *                 mol2 pdb      
PDBeligand(ebi)  
8
    * *             gif      
HiCup heterocyc - HICup  
8
                           
Oxford (Harrison)  
1
  *                 pdb mol isis      
UAlbertaDrugbank - UAlbHumanMetab  
4
* *   * * * *     * sdf mol pdb gif simstru etc target proteins; 80 fields Wishart  
TIPStargets   5                            
MetlinMetabolite  
4
*                          
biocycMetab  
5
                           
goodscents  
1
* * *   * * *       jmol      
Landolt Börnstein - LB  
160
*                     by C#, name, RN    
lipidmap lipids
9
*                   gif jmol marvin      
RDchem sales
10
*   * *                    
AMSminerals min                              
PDBbind                                
NCGC NatPharmCol                                
FoodAdditiveDB food 1                            
iScience                                

COMPOUND Structures:

Pubchem ACS debate: 8/22 - 9/22 - 10/3 -
NLM's Pubchem as front end to Elsevier's xpharm: arl - cnn - ReymondPubchemSearch -
Chemical Space Visualization: Reymond - Reymond - ReymondChemSpaceGDB -
Other: chemFinder 20K(sobearj, open cdx with chemdraw, paste into word) - chemfinder - Zinc2mil(Shoichet) - Zinclist - ZincBrowserReymond - dcbZincAnalogs - chembank1mil - chemExper - KEGGligand - NCI - NCI3Dsearch - NCI - NCI(NLM needsIE) - NIAID - NIAID - ACDwebli(needsIE5) - chemwebACD(sobear j) - reciproIU NSF 3-D stru 2k - CSDchemviz (uiuc bears 1p6474XZ) - PolycycAromStructures (NIST 1K mol & wmf) - chemblastNIST - EPAchemdb - Sigma - SigmaFisher - AcrosToronto - 400drugs - Dobashi400drugs(chime) - Woodcock2k - pherobase2k - chempedia - chemcyclopedia - ChemNavstruct search (soarbearj) - USDA300 - FriendliPhytochemGroups - UCB aroma molecules - nyu - FluorescentProbeStruct - DyesStruct - Csonka links relativistic compounds - mdpi diversity 189 - mdpi molmall - chemviz (few dozen) - melius - cpma - molbank - sharc - sharc search - antas links - macmol links - crdb 211 - Cambridge Structure Db info - CSD - CSD - oxford lab? - oxford server? - Syr 103K smiles Gewurze(by plant family) - SwinFine - ligandDB - drimane sesquiterp - MSD - IMBaminoacids - CAScount - CASsearch - CAShistory - Chemnavigator22MilStru - Webmolecules - MDD30k - infochem4000k - mrlewisclassroom - recipnet - CMU - CMU - wisc minerals & molecules - db of chemical stru - Lancaster - bio-molecules - ChineseHerbMol - ligand1mil download - GasteigerMolnet(NIH_LibMed_MD_US, toAqiPud) - emedicine(sbj) - chemidex(sbj) - CHMIS(sbnihj) - moltable - NucleicAcidsRes - NARdrug - biomedcentral - FiehnMetabolites - Metabdb - wichemia - orleans - CNRS - sunyAlbany - chemweb - timtec - chemdb - ucIrvine - SeneseFrostburg - chemblock - uci - surechem 12 mil (sbe) - gostar-gvk (sbe) -
PDBligand small compounds: PDBbind1700sbnih - PDBbind - bindingMOAD1400 sbnih - BIND (biomolec interaction network db) - BINDing(UMd) - SitesBase - sc-PDB-Kellenberger - RutgersLigandDepot - scPDB - scPDB - Relibase search prot-ligand (CCD) - Ligbase_ucsf - PDBsum - LunaPDBligands(Sayle) - PDBligand - biomedcentral - iRefindex - PDBligand - Molecules R US - Klotho(small compounds pdb) - TherapTarget - umich -
Categories: lipids - NCIcarcinogenClassif - ANT-Amino Acid-Nucleotide (Hoffman, UTx Austin) - molcad cyclodextrin - steroids - flavonoids - anthocyanidin - 60organic -
Inorganic metals: AMSminerals - AmerMineralogist - Zeolites - icsd Inorg xtal - icsd Inorg xtal - icsd - inorganicXtalINorgXtalPredict - GRINSP INorgStructPredict - GRINSP - GRINSP=Geometrically Restrained INorganic Structure Prediction - MercuryCSD - crystal modl -

Nomenclature: autonomchemweb(sobearj) - Rinehart - Woodcock - Woodcock - amino acid nomenclature - oximes - Claff - ChemAmbiguities - polymer - polymer - copolymer - copolymer -
Name ambiguities: Williams - Eller -
IUPAC: Moss-qmul - acd - iupac - orgww - unique chem identifier -
chem classes: NIAID - CancerCompoundGroups -
chemRN: Universal Chemical Key - CAS -
ChemToxDB database: EPAlist -
Biochemical Ontology: google - chemgroupsNIAID -
Chemical Taxonomy Groups: ChemTermSegmentationAMIA - markush search STN - markush combichem lib - markush derwent - markushDARC - Marpat - MarpatCAS - MarkushPatent1924 - MarkushClaim - scaffoldCAS - questelMMS - SCONP Struct Classification Of Nat Prod - beilstein - chemmindmap -
Drug likeness Natural Product scaffold: chemGPS -
Chem Dictionary: ChemspyWord -

Molecular Similarity Comparison: eyesopen - eyesopen -

Chemdraw-web Java: xemistry - Cactus 3D draw for smiles, sdf, pdb, mol - Cactus - CCPlinks - pubchemSketcher - ErtlJSME - WebSketch - WebSketch chemaxonMarvin(bj) - Marvin - Marvin - jchem (interface with Marvin or DB) - webmolecules - BK - Moledit - chemsymphony - chemsymphony - chemsymphony - chemsymphony - Gusev java builder for MCM-41 xtals - Ihlenfeldt 2-D sketcher - AccuModel (MS) - Chembuilder (AccuModel) - weblab (msi) - Jchempaint - Jchempaint - Jchempaint  - jsmol -  jmol - xchemdrawLinux - draw from pdb - MolSurf (molec surfaces, sketcher, smiles gen) - emolecules - chemcanvas - chemcanvas - ChemTool - ICM -
Chemdraw-web JavaScript: chemdoodle - chemdoodlereview - chemdoodlerev - JMol - jsMolEd - Jamberoo - JSDraw - jsdraw - structcloud - JME - renu - chemhack - apodaca -
Chemdraw-PC software info: wiki - gundareview - gunda - chemaxonMarvinsketch(bj) - ErtlJSME - ErtlJME - chemDoodle - Apodaca - compare ChemDraw, ISIS/Draw, ChemWin, ChemSketch & Chem4-D 5/02 - ChemWriter - ACD Chemsketch - ACDnewsgroup - ACD Draw - WinDrawChem - WinDrawChem - cdsinfo - Isis 2D to 3D(acd) - ElsevierMDLIsisSymyx(sgbj)- SymyxAddins - MDL Isis - Isis - isis info - isis docs - Isis MDL chime - chime scripting - BKinchi - CCPlinks - chempen - SoftShell Chemweb gif maker - CSC Chemdraw - ChemdrawWord - Chemdrawlinux - CS Chem3D - Chem3D (plugin free8880, educ1008) - SimulationsMedchemDesign - 2000 CS3d compounds - ChemInnovation 4D-draw - list - Biorad Drawit - BioradDocs - scitech - moldraw - moldraw - MAC - Claessen chem - Molecules-3D - Carbodraw - ClideOCRSymbios - chem software links - biosolveit -
Structure embedded in PNG images: GChemPaint - ACDchemsketch - depthfirst - depthfirst - firefly - python - inchimatic - BKinchi -
InChi: Kosata - faq - wiki - inchiKeyLimits -
InChi parsing: ninja - bkchem - JNI -
InChi to structure: babel - BK - CDK - RDKit - MCDL -
InChi from structure: inchimatic - inchimatic - inchimaticsource - inchigen - nlm -
InChi conversion: Apodaca - java -
DB database of figures: chemsymphony chem db -
Chem Viewers: JMol - JMol docs - JMol - webchemViewer - webchemViewerdoc -
CML chem markup language: wiki - sourceforge - google - PMR96 - PMR95 -

compchem page for file type conversions

Molecular chem database software: Kiener - Kiener - KienerCDK - sourceforge - MOE3D(CCG) - chemdbsoft - Jchem (chemaxon) - Chemaxon - Jchemsearch - scidex - Cambridgesoft - gNova - Daylight - Molsoft - MolsoftMolcart - Biorad - MDLisentris - Infochem - wiki -
Molecular Search Cartridge: Hoffmann - alchem - mychem - mychemDoc - SA2 - SA2 - Jchem - checkmolHaider - chemisql - Bingo - BingoGGA - Bingo - chembl - RDKit - orchem - orchem - pgchem - pinpoint -
natural products libraries in sdf: Bionet - Analyticon - Cerep - iflab - supernatural50k - InterBioScreen - Nanoscale - Pharmacore - SPECS240k - TimTec - diversa - RBC - key - TCMcambridgesoft -
PlantExtractChemicalLibraries: google - timtec4k - bioscreen5k - ibio12k - ibio12k - Analyticon12k - AnalyticonMegabolite - MerlionGSK30k - NCI50k - Synta10k - AlbanyMolecLillyLib300k - InterMedBayer - NCIdtp -
Small Molecule Chemical Libraries: chembridge - chemdiv - chemblock - asis - malariaChembl -
Library building: Kodadek -

Chemical Properties: NIST physchem properties - NIST standard ref data - NISTstdref - Melius 2k gaussian calcs - Steinmetz enthalpies - predict mp, bp from smiles - BP, logP, IUPAC (acd) - BP, logP, IUPAC (acd) - bio-online - pH theoprax - amino acid properties (UWi) - Lipinsky rule of 5 - matweb50k - SteinbeckNMR - TsukubaSpectra - NMRspectra - EPA-EPISuite - pKa - pKa - liquidsVirtualChem -

Thermodynamic Data: NISTwebbook - MansooriUIC - aicheDIPPR - DECHEMA - FIZberlin -

Predict Biological Activity from Chemical Structure (see tox predict in pharm): PASS - PASS - aboutQSAR - SOMFA download -


Chemistry Education & Principles:

chemie - Siebert - about - sfu - VT hypermedia - earley - conceptests - atoms&bonds(Bader) - valence (Steinmetz Pomona) - 300namedreactions - chemguide - IU - IU - UAkron - Whitewolf Lisa Ganora phytochem - Wermuth med chem - Chemory recall game - chemguide - chempractice - MCWeb CSU Fullerton - Leffingwell chirality and aroma - combichem (sbearj) - Warshawsky combichem - Pauling on Bonds -
ChemInfo Search: ChemInfoHuntBiblio - Akos - ChemInfoACS -
ChemLitCourses: Mari (FAU) - Matthews(Tenn) - Cooke(ChicoSt) - google -
Microscale Budget Lab: ogino - tekla -

HS tutorials: chamotlabs - uiuc(molecular structure) - wisc - deakin - deakin - fokus - cipsi - zum - schulchemie - wvusd - thinkquest - mzh - mit - Jacobs, Wilton HS - HShub - willamette -

pH/Acid-Base: acidbase(UBC) - pH(ISI) - pHcalcs(UCDavis) -  linksUT - bemidji - simchem -
Organic Chemistry: ReuschVirtualText - AlkeneAddition - MartindaleUCI - Glaser - UIC - Umea - Bruzik - review(mit) - Gervay - Parrill - Sibert - Okanogan - Woodcock - Rzepa - Aldridge - Shusterman - Koen -

Solvents: solvdb -

Specific chemicals: polyphenol stru - polyphenols defined - humic acids - tannin - tannin - isoflavones - flavonoids - nutrients - prostaglandins - flavins - flavins -

Water structure and behavior: filtersfast - Pollack -
Water Coanda Effect: wiki - jnaudin - answers - aardvark -

Tautomerism: jce - eyesopen - answers - ambitGenerator -
Enolization: usm - msu -

VaporPressure: Blaber FlaStU - UFla - wvusd - wikipedia - ILPI vappres - ILPIvolatility - allrefer - chemalive - volatility - Plambeck - OheData - StrettonTISS -

Molecular Interaction: SRIontology -

Systems Chemistry: Ludlow&Otto -

Physical Chemistry: David UCt - Stoichiometry - Borkent - EarleySimChem(win) download - entropy - radicals (ndrl) - radicals(Buettner) - esm thermodyn - gsu - sandiaHiTempThermodyn - gaussian -
Electrostatics: Gilson -
theoretical chem lectures: simons

Orbitals: sheffield - darmstadt - google - norton -
Electron:
Wave Particle duality of Quantum theory: wiki - measuring - measuring - DeBroglie - google - EverettParallel - Young - winnipeg - doubleslityoutube - whynondiscrete -
Quantum Chem lecture notes: uga - uga - gatech - worldsci - fowler - vazirani -
Organometallic: ilpiinorganicXtal
MRI: How it works: BMJ -
Optical Coherence Tomography (OCT): uci - uci
Radioactive Decay Calculator: UNR - UBC - RADDK -
Particle Accelerators: osha -

Electromagnetism:
Electricity: thinkquest - amasci - galaxy -

Analytic Chemistry: Scimedia - Umea - SheffieldHallam - CE - ChromatographyJ - separationsnow - XCMSSpectraAnal - environmental methods -
IR infrared: orgchem - wiki - msu -
HPLC: HPLCtext(Kazakevich & McNair) - Jinnu Data - Regis spectra - UKy - Altria links - chiral? - Dr - UAkronbasics - MacMod - StLouis - chromatographynet - PDA - fedichem - LatinAmer - kncv - SQA - Hamilton chromatograms -
GC: GueSu -
SolidPhaseExtr(SPE): lipidlibrary - uiowa - polymerlabs -
FTIR: ftirsearch -
MS: protein prospector ucsf - MS mass/charge calculator - MALDI - jmass -
TLC: camag - litdb -
Natural Products Analysis: Herbalyser spectra - PlantBioactives - Oil Specifications(Statfold) - IndofineStandards - ChromadexBotanicalStd -
Natural Products Chemistry: Looney - PhytochemMS10k -

Periodic Tables of elements: phoenix col - leach - WebElements - WebElements (Berk faster) - WebElements(ouc) - WebElements & chem calc (Shef) - mayaround - chemind - yogi - maricopa - ACS - C&EN - Umea - robresint - chemedDL - chemdex links - chemsoc - LANL - haiku - isotope calculator - list NIU - chamot elements ff - mitChemicool - bc - nist - environchem - umn - ucsb - chem4kids - dayah - antas links - bradley haiku - comicelements - Chemicool? - TomLehrerElementSong - elementalcrystals - solarsystem - HistoryofPerTbl -
Element properties: kasap - radii - radii - radii - minerals - titanium - bnl - neutronactivation -

Units conversions: about - berlin - calchemy -

Suppliers: sciquest - ACSchemsuppliers - SigmaAldrich - Spectrum - AlfaAesar - ThermoFisher - ACDsymyx - ChemACXcambridgesoft - ChemExper - eMolecules - zinc -
  Phytochemicals Supplier: chromadex - wildcrafters -
Materials DB matweb - NIST chem/materials - NIST StRD - atoz of materials - zeolitestru -

Chemicals in Products: EWGcosmeticChem -

iPhone Chem: swain -

Molecular model kits: ccp - umsl -

Surfactants: huibers -
Misc: gluethistothat -
chlorophyll & carotenoids - rotaxane monolayer - rotaxanes, catenanes, calixarenes -

Color & Spectrum: What Color Is -

ChemPortal: chemie - boehme - U Liverpool (chem part of virtual library) -

Chem search engine: chemie - chemie - CDK -

Chem Networking: CCN - acsCheminsight -

ChemLinks: Liverpool5k - fda - chemindustry - uci - STNdemo - STNquickguide - Napralertkeywords - organicworldwide - organicworldwide - IU - willamette - demokritos - Cheminfo - pomona - cheminformatics - chemih -

Chem Resources: chemistryguide - chemindustry - IPLlinks - Bender - wiley - knovel - ChemwebLitSearch - virtual lib - chemsoc - chem abrev - unb - ElsevierChemvillage - acronyms - chem db - chemdb - Wiggins/Warden - Wiggins - 12,000 acronyms - molec diversity preservation - idt chem - ccl index - constants - chem lists - starch structure - ACS(sobj, sbgj, 2172030) - ACS ChemCenter - ACS/COMP links (SAR, jobs, acad, meetings) - chemsoc UK - chemplace $50/yr - ACS Comp Chem - ACS abst form - niu chem links - CyclodextrinNews - $CRChandbookChemPhys - $KirkOthmerEncycChem - virtualChemLab - cyclotides -

CHEM CENTERS: Cambridge (dept & journals, 2k) -  Links for Chemists/Barker/Liverpool (6k) - UCLAvirtual - Chemdex/Winter/Sheffield (4k) - labvelocity -
au - NCI struct bio - GSU - SUNY Binghamton - UAlberta Liverpool - ColumbiaHHMI Stru - Gardner Mac software - Oxford Biophysics - Austrl Chem - CAS home - CAS - MolStru-Stony Brook - regensburg - chemstarter discussion - Va - indiana - U Md index Monsanto - UOk Chem Eng - Genentech - GIC Links - Sheffield home - Shef - Sussex - Reading Mol Modl - Heterocycle Soc - uia - uia - niu - vt - qub - Chem Concepts - leeds - UFl chem engineering - rpi - yahoo - latrobe - global - csc - galaxy - eecs - CRC press - wa - chemplace $50/yr - ChemEd/Cairns - NC Comp Chem Ed - umn - Cambridge Struct DB(CSD) - camb - stn chemport (soarbear 8WNG19NG) - utex utex - phoenix - erlangen - erlangen erlangen darmstadt - berlin - uibk - csiro - netlib - wustl - wustl - jungle - idbsu - dcl - or bayreuth - kun - ucg - Brunel - wavefun - edusoft-hint-hydrophobicity - VCU hint manuals - chalmers - mpg - or unige - regensburg - Molec Modl e-conf Franklin Inst - UMemphis Chem blah

Chem Spell Checkers: Azman - Azman - inso - toxspell - chemspell -

Chem trade: chemdex - connect - echem - chematch - chemOL - 1stMkt - freekt - recycle - xs - sciquest -

Chem assn: ChemicalStructureAssn -

Chem news:

Lab Reference: protocol -

Synthesis: orgsynthdb - orgsynthdb - webreactions - webreactions - photochem -

Highly cited papers: CAS - ISI

Chem Conferences: chemsoc - Gordon - WATOC - ACS - ACS CompChem programs -

Historical Alchemy: AlchemyKey - modern chemical history of intermolecular forces 1700-now Cohesion, JS Rowlinson -

Energy: H & fuel cells -

Plastic: dupontChemResistance -

Food Colors: fda - color - pbm - roha - parshwa - neelikon -

Speed of Light: Romer -


© 1995-2008 Soaring Bear; your comments & corrections are welcome