Table 5.
Top 25% of common upper-bound assay μ(ComboTNN-NI) outliers.
| μ(ComboT NN-NI ) | |||||
|---|---|---|---|---|---|
| AID | Type a | Description | |||
| ST-opt | CT-opt | Ave. a | |||
| 1475 | (S) | 0.68 | 0.46 | 0.57 | Quantitative High-Throughput Screen for Inhibitors of Tau Fibril Formation: Summary |
| 2163 | (C) | 0.47 | 0.50 | 0.49 | Cuvette-Based Assay for Inhibitors of 12-hLO (12-human lipoxygenase) |
| 838 | (C) | 0.41 | 0.56 | 0.48 | Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay |
| 672 | (C) | 0.45 | 0.50 | 0.48 | Redox Cycling Hydrogen Peroxide Generation Assay; MKP-1 and MKP-3 Probe Assessment. |
| 2230 | (C) | 0.41 | 0.49 | 0.45 | Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series |
| 653 | (C) | 0.44 | 0.46 | 0.45 | West Nile Virus NS2bNS3 Proteinase Inhibitor Dose Response Confirmation. |
| 766 | (C) | 0.42 | 0.45 | 0.43 | Formylpeptide Receptor (FPRL1) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay |
| 486 | (C) | 0.43 | 0.44 | 0.43 | Clearance of Mutant Huntingtin Protein - Confirmatory screen |
| 2267 | (C) | 0.40 | 0.46 | 0.43 | Secondary assay for Inhibitors of Human Pyruvate Kinase M2 isoform |
| 1068 | (C) | 0.39 | 0.47 | 0.43 | BAP1 Enzyme inhibitors AMC/RHO Comparison |
| 523 | (C) | 0.40 | 0.44 | 0.42 | Cathepsin B Inhibitor Series SAR Study |
| 1536 | (C) | 0.34 | 0.49 | 0.42 | Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. |
| 346 | (C) | 0.37 | 0.45 | 0.41 | HIV Nucleocapsid |
| 1083 | (C) | 0.40 | 0.41 | 0.40 | Concentration Response fluorescence polarization-based assay to test purchased Analogs of Selected Hits from the Polo box domain (PBD) of Plk1 Primary HTS. |
| 732 | (P) | 0.34 | 0.34 | 0.34 | In Vivo Angiogenesis Assay for HTS |
| 718 | (C) | 0.31 | 0.32 | 0.31 | Dose Response assay for agonists of 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1A (5HT1A) |
| 1157 | (O) | 0.26 | 0.36 | 0.31 | PSACAntagonistScreen(Absorb.700[IndoChina.Blood(.18h)]) |
| 1315 | (P) | 0.28 | 0.34 | 0.31 | Fluorescence polarization for PKD inhibitors - interference assay (140K library campaign) |
| 1781 | (C) | 0.27 | 0.34 | 0.31 | Confirmation Concentration-Response Assay for Activators of Human Liver Pyruvate Kinase |
| 579 | (C) | 0.26 | 0.26 | 0.26 | In vitro MKP-1 Phosphatase Dose Response SAR Support Assay |
| 1039 | (C) | 0.20 | 0.30 | 0.25 | Normal 2 Cell Viability Secondary Assay for qHTS Assay for Epigenetic Modulators |
| 1540 | (C) | 0.27 | 0.23 | 0.25 | Secondary assay for Activators of Human Pyruvate Kinase M2 isoform |
| 835 | (C) | 0.20 | 0.29 | 0.24 | Dose-response biochemical assay for antagonists of the interaction between the Eph receptor B4 (EphB4) and its ligand ephrin-B2 via TNYL-RAW peptide |
| 621 | (C) | 0.24 | 0.23 | 0.24 | TR-FRET secondary assay for HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1 |
| 1751 | (C) | 0.23 | 0.23 | 0.23 | Confirmation Concentration-Response Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase |
| 254 | (?) | 0.19 | 0.25 | 0.22 | NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intravenous) in B6D2F1 (BDF1) mice |
| 552 | (P) | 0.24 | 0.19 | 0.22 | Antimicrobial HTS Assay for E. coli BW25113 (wild type) |
| 734 | (P) | 0.20 | 0.23 | 0.22 | Assay to identify inhibitors among the possible fluorescent artifacts from the primary HTS inhibition assay of Matrix Metalloproteinase 13 (MMP13) activity |
A list of AIDs whose difference in the average ComboT similarity scores between noninactive-noninactive (NN) pairs and noninactive-inactive (NI) pairs is greater than μ[μ(ComboTNN-NI)] + σ[μ(ComboTNN-NI)] for both superposition optimization types.
a (P), (primary) screening; (C), confirmatory; (S), summary; (O), others; (?), unspecified.
b The average of ST-optimized and CT-optimized ComboTNN-NI.