SOARING BEAR Ph.D. Pharmacology
|
||
Scientific advisor to the health professions &
herbal industry
|
Chemistry
Educational & Tutorial: Chemistry Principles - chemtutor - wikibooks - molec universe - chemvc - YoungUIC - BlaberFlaStU - collective - teaching with cache - MITorganic - Ox - EpochOrgChem - OrgChemonline - chemspy - Avogadro number (Murrell) - thermodynamics (Murrell) - solar energy theory (Bahcall) - orgChemtutorial&cards - VirtualTextOrganicChem (Reusch-MSU) - AdvOrgChem (Evans-Harvard) - ACSchemalive - chemcollective - assign - rhodes - NIHredox - MITchem - orgchem(Alberta) - chemweb journals,db,books - org chem Bradley Drexel - cheminfoSousa -
ChemDigIndexingRzepa - surechem
-
google structure files: http://www.google.nl/search?as_q=benzene&as_filetype=mol
Pubchem: Pubchem - PubchemAdvSearch
- help - wiggins
- IUutil
- pubchem2acd
- download
- downloadftp - aboutPubchem
- PubChem
- PubChem
advisory FedRegister9/1/05 - Zerhouni
on PubChem - Bryant04
- Bryant07 - PMRustcriticism
- sourceDB
-
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(IU)
-
Cheminformatics: cheminformatics
- rdfwiki
- rdfchem
- RDKit
- RDKit - RDKit
- WigginsCourse
- cheminformorg
- ChemInfLett - Bioclipse
- chembiogrid
- wikiproteins -
greasemonkey
-
Molecular structures: Apodaca07 - Nicklaus01 - proteins(biochem) - chemdraw - elements - Wiggins -
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 | SAR |
1000
|
* | * | * | * | harvard | daylight | ||||||||
orgchem | sales |
1000
|
* | * | * | gif mol | mw | |||||||||
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 | ||||||||
NISTwebbook |
50
|
* | * | * | * | * | * | gif mol | ||||||||
NIMHpsych | Ki |
50
|
||||||||||||||
SuprNatural - SuprDrug - |
50
|
|||||||||||||||
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 | kegg pdb chemid nist | EBI | |||||||||||||
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
|
|||||||||||||||
PDBligands |
7
|
* | mol2 pdb | |||||||||||||
HiCup heterocyc - HICup |
8
|
|||||||||||||||
Oxford (Harrison) |
1
|
* | pdb mol isis | |||||||||||||
UAlbertaDrugbank - UAlbHumanMetab |
4
|
* | * | * | * | * | * | * | sdf mol pdb gif simstru etc | target proteins; 80 fields | Wishart | |||||
MetlinMetabolite |
4
|
* | ||||||||||||||
biocycMetab |
5
|
|||||||||||||||
goodscents |
1
|
* | * | * | * | * | * | jmol | ||||||||
Landolt Börnstein - LB |
160
|
* | by C#, name, RN | |||||||||||||
lipidmap | lipids |
9
|
* | gif jmol marvin | ||||||||||||
RDchem | sales |
10
|
* | * | * |
COMPOUND Structures:
Pubchem ACS debate: 8/22
- 9/22 -
10/3
-
NLM's Pubchem as front end to Elsevier's xpharm: arl
- cnn
-
Other: chemFinder 20K(sobearj,
open cdx with chemdraw, paste into word) - chemfinder
- Zinc2mil(Shoichet) - zinclist
- 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) - EPAchemdb
- Sigma
- Sigma
- Fisher - Acros
- Toronto - 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
- wichemia - orleans
- CNRS
-
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: Zeolites -
icsd Inorg xtal
- icsd Inorg xtal - inorganicXtal
- INorgXtalPredict -
GRINSP INorgStructPredict - GRINSP
- MercuryCSD - crystal modl - AmerMineralogist
- GRINSP=Geometrically Restrained INorganic
Structure Prediction -
Nomenclature: autonomchemweb(sobearj)
- Woodcock
- Woodcock
- amino acid nomenclature
- oximes - Claff
- ChemAmbiguities
- polymer -
polymer
- copolymer - copolymer
-
Name ambiguities: Williams
- Eller -
IUPAC: gmw - acd
- iupac - orgww
- unique chem
identifier -
chem classes: NIAID
- CancerCompoundGroups
-
chemRN: Universal
Chemical Key - CAS -
ChemDB: 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
-
Chem Dictionary: ChemspyWord
-
Molecular Similarity Comparison: eyesopen
- eyesopen -
Chemdraw-web Java: Cactus
3D draw for smiles, sdf, pdb, mol - Cactus
- CCPlinks
- 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
- xchemdraw - draw
from pdb - MolSurf
(molec surfaces, sketcher, smiles gen) -
Chemdraw-PC software info: wiki
- chemaxonMarvinsketch(bj)
- ErtlJME - 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 -
CS Chem3D- Chem3D
(plugin free8880, educ1008) - 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 -
depth
- 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 of figures: chemsymphony
chem db -
Chem Viewers: JMol - JMol
docs - JMol
-
CML chem markup language: wiki
- sourceforge - google
- PMR96
- PMR95 -
compchem page for file type conversions
Molecular chem db software: MOE3D(CCG)
- Jchem (chemaxon) - Chemaxon
- Jchemsearch - scidex
- Cambridgesoft
- gNova - Daylight
- Molsoft - Biorad
- MDLisentris
- Infochem
-
natural products libraries in sdf: Bionet
- Analyticon - Cerep
- iflab - InterBioScreen
- Nanoscale - Pharmacore
- SPECS240k - TimTec
- diversa - RBC
- key -
PlantExtractChemicalLibraries: google
- timtec4k
- bioscreen5k - ibio12k
- ibio12k - Analyticon12k
- AnalyticonMegabolite
- MerlionGSK30k
- NCI50k -
Synta10k - AlbanyMolecLillyLib300k
- InterMedBayer
-
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 -
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 -
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
-
Specific chemicals: polyphenol
stru - polyphenols
defined - humic
acids - tannin
- tannin
- isoflavones
- flavonoids
- nutrients - prostaglandins
- flavins
- flavins -
Water structure and behavior: sbu
-
Water Coanda Effect: wiki
- jnaudin - answers
- aardvark -
Tautomerism: jce
- eyesopen - answers
-
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
- Earley
- SimChem(win)
download - entropy
- radicals
(ndrl) - radicals(Buettner)
- esm thermodyn - gsu
- sandiaHiTempThermodyn
-
Electrostatics: Gilson -
theoretical chem lectures: simons
Orbitals: sheffield
- darmstadt
- google - norton
-
Electron:
Wave Particle duality of Quantum theory: wiki
- DeBroglie
- google
- Young
- winnipeg -
Quantum Chem lecture notes: uga
- uga - gatech
- worldsci -
Organometallic: ilpi
- inorganicXtal -
MRI: How it works: BMJ
-
Optical Coherence Tomography (OCT): uci
- uci
Radioactive Decay Calculator: UNR
- UBC - RADDK
-
Electromagnetism:
Electricity: thinkquest
- amasci - galaxy
-
Analytic Chemistry: Scimedia
- Umea - SheffieldHallam
- CE
- ChromatographyJ
- separationsnow - XCMSSpectraAnal
- environmental methods -
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
-
Periodic Tables of elements: phoenix
col - WebElements - WebElements
(Berk faster) - WebElements(ouc)
- WebElements
& chem calc (Shef) - chemind
- yogi - maricopa
- ACS
- Umea
- robresint
- 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 - minerals
- titanium
- bnl - neutronactivation
-
Units conversions: about
- berlin
- calchemy -
Suppliers: sciquest - ACSchemsuppliers
- wildcrafters - Phytochemicals
Supplier: chromadex -
Materials DB matweb - NIST
chem/materials - NIST StRD
- atoz of materials - zeolitestru
-
Chemicals in Products: EWGcosmeticChem
-
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 - 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) - 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 -
csc chem graphics - 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 -
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 -
© 1995-2008 Soaring Bear; your comments & corrections are welcome