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Table 2 The numbers describing both curated AZ inhouse and ChEMBL datasets along with the output of NA analysis

From: Nonadditivity in public and inhouse data: implications for drug design

  AZ ChEMBL
Nof
 Measurements 5,801,969 3,625,044
 Cpds measured more than once (%) 85.8% 5.1%
 Curated assays 6277 13,620
 Unique cpds 1,232,555 799,860
 Assays with NA 4030 7534
 Assays with significant NA 3628 (57.8%) 4128 (30.3%)
 Assays with NA* 3081 (49%)
 Assays with strong NA# 1509 (24%) 1237 (9.1%)
 Unique cpds showing significant NA* 114,862 (9.4%) 40,798 (5.1%)
 Unique cpds showing strong NA# 5767 (0.5%) 8572 (1.1%)
Median nof
 Unique cpds per assay 233 35
 Unique cpds per assay with NA output 490 39
 DTC per assay with NA output 63 13
 Unique cpds per assay with significant NA* 562.5 43
 DTC per assay with significant NA* 88.5 23
 Unique cpds per assay with NA* 662
 DTC per assay with NA* 133
 Unique cpds per assay with strong NA# 1093 52
 DTC per assay with strong NA# 423 43
  1. Nof: number of, cpds: compounds, DTC: double-transformation cycles
  2. * Significant NA: 0.6 log units for AZ inhouse data, 1.0 log units for ChEMBL data
  3. # Strong NA: > 2.0 log units