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Score Type
Method used to compute scores
2D Similarity (substructure keys)
3D Similarity, shape optimized
3D Similarity, feature optimized
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3D Options
Options for 3D computations
1
2
3
4
5
6
7
8
9
10
Number of 3D conformers per CID
Do not substitute 3D parents
ID List
Primary list of IDs (CIDs or Conformer IDs)
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Second ID List
Secondary list of IDs
None
If none, will get self-scores for primary list
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Format
Format of the matrix file
CSV
Id-Id-Score
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Compression
Compression of the matrix file
No compression
Gzip (.gz)
Bzip2 (.bz2)
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Save this job in XML format (e.g. for PUG)