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Table 8 FDA-approved drugs enrichment

From: canSAR chemistry registration and standardization pipeline

 

All canSAR compounds

FDA-approved drugs

Chi-squared test

Total number of unique valid structures

1,988,409

2450

Compounds registered as non canonical forms

192,933 (9.7%)

429 (17.51%)

χ2 = 8,558,547,933

p-value < 0.0001

Chiral compounds

890,562 (44.78%)

1031 (42.01%)

Not enriched

  1. FDA-approved drugs were compared to all compounds registered in canSAR for canonicalization and chirality enrichment. A significant p-value for compounds modified during canonicalization has been found through the Chi-squared test