[Structure Editor]
[Query Form]
[Data Display Settings]
[3D Visualization/Mining]
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Query Type
Negate
Query Data Value
NSC Number(s)
CAS Number(s)
Formula...
Molecular Weight Range
Number of Atoms Range
Number of H-Bond Donors Range
Number of H-Bond Acceptors Range
Number of Rotatable Bonds Range
Number of Catalyst Conformers
Drug Likeness Prediction...
PASS Prediction Range...
logP Range...
Name Search...
Full Structure...
Similarity Search...
Functional Group Search...
Substructure and/or 3D Search
NSC Number(s)
CAS Number(s)
Formula...
Molecular Weight Range
Number of Atoms Range
Number of H-Bond Donors Range
Number of H-Bond Acceptors Range
Number of Rotatable Bonds Range
Number of Catalyst Conformers
Drug Likeness Prediction...
PASS Prediction Range...
logP Range...
Name Search...
Full Structure...
Similarity Search...
Functional Group Search...
Substructure and/or 3D Search
NSC Number(s)
CAS Number(s)
Formula...
Molecular Weight Range
Number of Atoms Range
Number of H-Bond Donors Range
Number of H-Bond Acceptors Range
Number of Rotatable Bonds Range
Number of Catalyst Conformers
Drug Likeness Prediction...
PASS Prediction Range...
logP Range...
Name Search...
Full Structure...
Similarity Search...
Functional Group Search...
Substructure and/or 3D Search
Growth inhibition (GI50) range
Cytotoxic effect (LC50) range
Cytostatic effect (TGI) range
(This query type may take 20-30 sec. computing time!)
versus
All cell lines
Any cell line
Tumor Data Availability Constraints:
Any screening data
tgi, gi50, lc50
(must be present)
Connect query fields by:
AND
OR
XOR
Max. number of hits and search time:
hits,
seconds
Output Format:
HTML Table with Samples
Plain HTML Table
HTML Table with Images
Output Sort:
NSC Number
Atom Count
Molecular Weight
Complexity
Similarity (only with a similarity query)
Growth Inihibition (average values)
Cytotoxic Effect (average values)
Cytostatic Effect (average values)
Growth Inihibition (max values)
Cytotoxic Effect (max values)
Cytostatic Effect (max values)
increasing
decreasing
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