Table 2

Statistics of sp³ stereochemical content in the KEGG Compound and BioMeta databases

Stereochemistry

OK

# in KEGG

# in BioMeta

# Corrected

Not possible

+

3725

3764

Undefined (i.e., omitted)

–

554

366

188

Incompletely defined – meso

–

24

3

21

Incompletely defined – absolute

–

1080

691

389

Incompletely defined – relative

–

294

171

123

Completely defined – meso

+

56

89

Completely defined – absolute

+

3735

4823

Completely defined – relative

–

2032

1669

363

Total not OK

3984

2900

1084

Total OK

7516

8676

Total

11500

11576

The numbers in this table give a more detailed breakdown of the sp³ stereochemistry enhancements from Table 1. Here "OK" means a single, completely defined, compound. The "unspecified enantiomer" cases from Table 1 are split here between two "relative" stereochemistry cases, incompletely and completely defined. Note that not all "Completely defined – relative" cases need to be errors – a number of drugs may be racemic compounds.

Ott and Vriend BMC Bioinformatics 2006 7:517   doi:10.1186/1471-2105-7-517