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WEB SITE NAVIGATION: COMPARE, Oncology Drugs Project
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SEARCHING DATA
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You can configure and run you own search using the CONFIGURE SEARCH PARAMETERS tabs below
OR
pre-configured searches are listed in the SEARCH APPROVED AND INVESTIGATIONAL AGENTS dropdown
OR
demonstration searches are listed in the PICK A DEMONSTRATION SEARCH dropdown.
EXECUTE SEARCH
AFTER CONFIGURING BELOW
CLICK HERE TO SEARCH
OR
SEARCH APPROVED AND INVESTIGATIONAL AGENTS
APP - APPROVED NSC ONLY
INV - INVESTIGATIONAL NSC ONLY
IOA - APPROVED AND INVESTIGATIONAL NSC
OR
PICK A DEMONSTRATION SEARCH
SAMPLE ALL SEARCH PARAMETERS FOR ALL DATA TYPES
100 RANDOM NSC
CONFIGURE SEARCH PARAMETERS
CLEAR ALL SEARCH TERMS
NSC by Identifiers
NSC by Structure
NSC by pChem
Limit data by endoint(s).
OPTIONS
GI50
TGI
LC50
IC50
Include Invidual Experiments
Include One Conc Prescreen Experiments
Type 3+ characters for suggestions
Selected suggestions will be added to the text areas to the right.
Text Areas
Copy/Paste or type.
NSC number
NSC numbers - any delimiter
Drug Name
Drug Names - new line delimiter
Target
Targets - new line delimiter, exact match.
ExpId (Experiment Id)
ExpId - any delimiter
Alias (compound names)
The NSC for a selected alias will be used for the search.
Load Structure into Editor
Load structure for NSC:
Load Structure
Structure Editor
Configure Substructure Search
Do Substructure Search
ctabforload
smilesforload
ctabfromeditor
smilesfromeditor
smilesfromctabfromeditor
TESTING PERFORM pCHEM SEARCH
Constraints on pChem parameters
Molecular Formula
MolecularFormula
Molecular Weight
Molecular Weight MIN
Molecular Weight MAX
HBond Acceptors count
HBond Acceptors count MIN
HBond Acceptors count MAX
HBond Donors count
HBond Donors count MIN
HBond Donors count MAX
Formal Charge
Formal Charge MIN
Formal Charge MAX
aLogP
aLogP MIN
aLogP MAX
logD
logD MIN
logD MAX
Surface Area
Surface Area MIN
Surface Area MAX
Solubility
Solubility MIN
Solubility MAX
Atoms count
Atoms count MIN
Atoms count MAX
Atoms Hydrogen count
Atoms Hydrogen count MIN
Atoms Hydrogen count MAX
Atoms Metal count
Atoms Metal count MIN
Atoms Metal count MAX
Atoms Heavy count
Atoms Heavy count MIN
Atoms Heavy count MAX
Atoms Positive count
Atoms Positive count MIN
Atoms Positive count MAX
Atoms Negative count
Atoms Negative count MIN
Atoms Negative count MAX
Atoms Stereo count
Atoms Stereo count MIN
Atoms Stereo count MAX
Bonds count
Bonds count MIN
Bonds count MAX
Bonds Aromatic count
Bonds Aromatic count MIN
Bonds Aromatic count MAX
Bonds Single count
Bonds Single count MIN
Bonds Single count MAX
Bonds Double count
Bonds Double count MIN
Bonds Double count MAX
Bonds Triple count
Bonds Triple count MIN
Bonds Triple count MAX
Bonds Rotatable count
Bonds Rotatable count MIN
Bonds Rotatable count MAX
Bonds Ring count
Bonds Ring count MIN
Bonds Ring count MAX
Bonds Stereo count
Bonds Stereo count MIN
Bonds Stereo count MAX
Rings Aromatic count
Rings Aromatic count MIN
Rings Aromatic count MAX
Ring Assemblies count
Ring Assemblies count MIN
Ring Assemblies count MAX
Rings count
Rings count MIN
Rings count MAX
WORKING
RUNNING
SEARCHING
PNG format Graphic
Right click on image to copy/save
ESC to close
AdHoc Reporting
ESC to close
Brushed Nodes
ESC to close
brushedLinks
brushedDrugTargets
brushedNscs
brushedGeneSymbols
brushedIdentStrings
Histogram Bar Elements
ESC to close
barObjects:
MEAN GRAPHS
HEAT MAP
COLOR BY VALUE
COLOR BY DELTA
SORT BY DRUG NAME
SORT BY NSC
SORT BY TARGET
SHOW/HIDE VALUES
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CONCENTRATION/RESPONSE
GIPRCNT DATA
T/C DATA
nscCompound
drugName
logHiConc
concUnit
expId
assayTime
cellPanel
cellLine
concentration
countPctCtrl
meanPctCtrl
stddevPctCtrl
countGiprcnt
meanGiprcnt
stddevGiprcnt
No records found.
LABEL NODES BY TARGET, NSC OR DRUG NAME
ESC to close
APPLY SELECTED LABELS
Pick Targets
Pick NSC
Pick DrugNames
Add
Add all
Remove
Remove all
Add
Add all
Remove
Remove all
Add
Add all
Remove
Remove all
TARGETS
ESC to close
APPLY
TARGETS
Add
Add all
Remove
Remove all
PROCESS LIST
FILTERS BY TARGET
ESC to close
APPLY SELECTED FILTERS
FILTER
Add
Add all
Remove
Remove all
HIGHLIGHTS BY TARGET
ESC to close
APPLY
HIGHLIGHTS
Add
Add all
Remove
Remove all
STRUCTURE DISPLAY OPTIONS
APPLIED ON NEXT PAGE LOAD/REFRESH
ESC to close
OPTION
CURRENT
CHANGE TO
CHOICE
SHOW STRUCTURES
SHOW
HIDE
SHOW (default) or HIDE
RING BONDS
KEKULIZE
AROMATIZE
KEKULIZE (default) or AROMATIZE
NUMBER ATOMS
HIDE
SHOW
HIDE (default) or SHOW
COLOR ATOMS
NO COLOR
COLOR
NO COLOR (default) or COLOR
CARBON
HIDE
SHOW
SHOW or HIDE (default)
OUTERGLOW
HIDE
SHOW
SHOW or HIDE (default)
TERMINAL CARBONS
HIDE
SHOW
SHOW or HIDE (default)
placeholder for infoDlg
This is a placeholder for infoDlg.
Downloadable files and demonstration videos for the COMPARE web site are available
here
in the section headed "Supporting Materials for COMPARE."
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