Datasets:

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ChAFF

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-Type,DatasetName,AID,AID_confirmatory,NumActiveCompounds,Paper Title,Reference,URL,Assay Name,Description
-Absorbance,,632,,43,A Novel Class of Small Molecule Inhibitors of Hsp90,"(Yi, 2008, 10.1021/cb800162x)",,Confirmation Concentration-Response Assay and Counterscreen for Disrupters of an Hsp90 Co-Chaperone Interaction,Interference compounds have a score of 10
-Absorbance,,1641,,92,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2),TR-FRET counterscreen for FAK inhibitors
-Absorbance,,1730,,10,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay
-Absorbance,,1857,,290,,,,FRET-based counterscreen assay for selective VIM-2 inhibitors: biochemical high throughput screening assay to identify epi-absorbance assay artifacts,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
-Absorbance,,1926,,118,,,,FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
-Absorbance,,435026,,507,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Fluorescence Cell-Free Homogeneous Counterscreen to Identify Inhibitors of the RanGTP-Importin-beta complex,fluorescence resonance energy transfer (FRET)-based biochemical assay used as counterscreen
-Absorbance,,504689,,59,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen,uHTS identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay
-Absorbance,,720541,,416,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,qHTS for Inhibitors of the Phosphatase Activity of Eya2: Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds,Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds
-Absorbance,,1159604,,51,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads
-Artifact,transporter,485270,492964,701,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,transcription,1040,1254,501,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,transcription_2,628,677,1396,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,GPCR_2,1672,2032,942,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,GPCR_3,449739,489005,940,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,ion_channel,2239,2287,175,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,ion_channel_2,2661,2821,191,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,ion_channel_3,488975,493221,383,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,kinase,504558,588343,48,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,GPCR,2098,2382,923,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,serine,624304,624474,1150,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,transcription_3,485273,493155,1119,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,ubiquitin,873,1431,853,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,splicing,2221,435010,243,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,channel_atp,720511,743267,548,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,cysteine_protease,686996,720632,393,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Artifact,zinc_finger,1832,1960,446,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
-Autofluoresence,,587,,34,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Texas Red Spectral Region,
-Autofluoresence,,588,,25,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Resorufin Spectral Region,
-Autofluoresence,,589,,6214,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in 4-MU Spectral Region,
-Autofluoresence,,590,,6427,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A350 Spectral Region,
-Autofluoresence,,591,,59,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A488 Spectral Region,A488 Spectral Region; 480 nm and 540 nm excitation and emission
-Autofluoresence,,592,,0,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A647 Spectral Region,
-Autofluoresence,,593,,532,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Fluorescein Spectral Region,480 nm and 540 nm excitation and emission
-Autofluoresence,,594,,32,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Rhodamine Spectral Region,
-Autofluoresence,,709,,3590,NA,,,Profiling the NIH Molecular Libraries Small Molecule Repository: Autofluorescence at 339/460 nm,"Autofluorescence at 339/460 nm; For fluorescent compounds, Dye equivalent concentration at given concentration > 10μm/ Fold Increase at 10μm; Blue non-fluorescent compounds need to be validated more than three times, while green non-fluorescent compounds should be validated more than five times."
-Autofluoresence,,923,,779,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1: Spectroscopic Profiling in AFC Spectral Region,405 nm excitation/520 nm emission
-Autofluoresence,,1480,,89,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in IgMXP3 at 488/530 nm; counter screen to single point confirmation of ABCG2 screen,in IgMXP3 cells (ABCG2) 488/530 nm
-Autofluoresence,,1483,,83,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in CCRF-Adr at 488/530 nm; counter screen to single point confirmation of ABCB1 screen,in CCRF-Adr (ABCB1 expressing cells) at 488/530 nm
-Autofluoresence,,1696,,342,"Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy- D-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC)","(Sivendran, 2010, 10.1016/j.bmc.2009.11.033)",,Rml C and D fluorescent artifact dose-response confirmation,340/460 nm
-Autofluoresence,,1775,,825,,,,Profiling compound fluorescence on Avidin Beads with 488 nm excitation and 530 nm emission,on Avidin Beads with 488 nm excitation and 530 nm emission
-Autofluoresence,,1776,,489,,,,Profiling compound fluorescence on GSH Beads with 488 nm excitation and 530 nm emission,on GSH Beads with 488 nm excitation and 530 nm emission
-Autofluoresence,,2124,,198,,,,Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caused By Cell-Permeable Autofluorescent Compounds,488nm excitation / 535 nm emission
-Autofluoresence,,2757,,9,,,,Test compound autofluorescence in Saccharomyes cerevisiae specifically s288c,520 nm emission in Saccharomyes cerevisiae s288c
-Autofluoresence,,588517,,63,,,,Compound fluorescence counter screen for HTS for inhibitors of efflux pump with Cherry Pick1 compound set,488 nm excitation
-Autofluoresence,,588620,,13,,,,Dose response compound fluorescence counter screen for HTS for inhibitors of efflux pump with Hit compounds from Cherry Pick1,488 nm excitation
-Autofluoresence,,624483,,10930,,,,Counterscreen of compound fluorescence effects on High-throughput multiplex microsphere screening for inhibitors of toxin protease,Spherotech Blue Array Particle kit
-Autofluoresence,,720675,,21,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cells,535 nm (green) in HepG2 cells
-Autofluoresence,,720678,,35,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cells,460 nm (blue) in HEK293 cells
-Autofluoresence,,720680,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells,535 nm (green) in HEK293 cells
-Autofluoresence,,720681,,37,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cell free culture,460 nm (blue) in HEK293 cell
-Autofluoresence,,720682,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell free culture,535 nm (green) in HEK293 cell
-Autofluoresence,,720686,,20,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cell free culture,535 nm (green) in HepG2 cell
-Autofluoresence,,720687,,32,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HepG2 cells,460 nm (blue) in HepG2 cells
-Autofluoresence,hepg2_cell_blue_n,,,216,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hepg2_cell_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hepg2_cell_red_n,,,39,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hepg2_med_blue_n,,,209,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hepg2_med_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hepg2_med_red_n,,,37,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_cell_blue_n,,,210,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_cell_green_n,,,56,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_cell_red_n,,,33,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_med_blue_n,,,224,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_med_green_n,,,44,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-Autofluoresence,hek293_med_red_n,,,34,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
-ColloidalAggregators,,585,,1256,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent),
-ColloidalAggregators,,1476,,4500,"Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease","(Jadhav, 2010, 10.1021/jm901070c)",,qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent),Inhibitors of Cruzain (without detergent)
-ColloidalAggregators,,485341,,1730,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent),qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent)
-ColloidalAggregators,AggregatorAdvisor,,,12644,An Aggregation Advisor for Ligand Discovery,"(Irwin, 2015, 10.1021/acs.jmedchem.5b01105)",https://advisor.bkslab.org/,,20 diverse sources
-HeavyHitters,Matlock2018,,,13068,Modeling Small-Molecule Reactivity Identifies Promiscuous Bioactive Compounds,"(Matlock, 2018, 10.1021/acs.jcim.8b00104)",https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00104/suppl_file/ci8b00104_si_001.zip,,"PubChem2016, non-ChEMBL tested in at least 100 assays"
-HeavyHitters,Goodwin2020,,,1000,Statistical models for identifying frequent hitters in high throughput screening,"(Goodwin, 2020, 10.1038/s41598-020-74139-0)",https://www.nature.com/articles/s41598-020-74139-0#Sec20,,
-HeavyHitters,Aggregators,,,16820,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Green_fluorescence,,,8441,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Fluc_inhibitors,,,12092,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Blue_fluorescence,,,4871,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Reactive_compounds,,,6056,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Promiscuous_compounds,,,8089,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-HeavyHitters,Other_assay_interference,,,1544,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
-LuciferaseInhibition,,411,,1571,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,qHTS Assay for Inhibitors of Firefly Luciferase,ATP concentration in the assay (10 uM)
-LuciferaseInhibition,,1006,,2976,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,Counter Screen for Luciferase-based Primary Inhibition Assays,with >50% inhibition at 10 uM concentration
-LuciferaseInhibition,,1379,,565,A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution,"(Auld, 2009, 10.1021/jm8014525)",,Counterscreen for Luciferase (Kinase-Glo TM) Inhibition,
-LuciferaseInhibition,,1891,,446,,,,Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase,EC50 <= 1 log over the highest tested concentration
-LuciferaseInhibition,,2515,,10,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Probe SAR,NIH Chemical Genomics Center (NCGC) Assay
-LuciferaseInhibition,,2530,,46,,,,Secondary Assay for Luciferase (Kinase-Glo TM) Inhibition Counterscreen,
-LuciferaseInhibition,,366887,,8,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay,activity <= 10uM
-LuciferaseInhibition,,366889,,1,,,,Inhibition of Photinus pyralis luciferase assessed as maximum inhibitory potency by quantitative high throughput screening,activity <= 10uM
-LuciferaseInhibition,,366891,,19,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay,activity <= 10uM
-LuciferaseInhibition,,488838,,41,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Further Probe SAR,
-LuciferaseInhibition,,493175,,0,,,,miR-21 counterscreen using purified firefly luciferase,
-LuciferaseInhibition,,588342,,25069,"Firefly luciferase in chemical biology: a compendium ofinhibitors, mechanistic evaluation of chemotypes, and suggested use as areporter.","(Thorne, 2012, 10.1016/j.chembiol.2012.07.015)",,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for miR-21 project),
-LuciferaseInhibition,,588498,,18,,,,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for the Campaign to Identify EBNA-1 Inhibitors project).,
-LuciferaseInhibition,,602357,,104,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate,
-LuciferaseInhibition,,602358,,102,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate and 500microM CoASH,
-LuciferaseInhibition,,602364,,89,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with 1mM ATP,
-LuciferaseInhibition,,602474,,53,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with a commercial detection reagent - BriteliteTM Plus (PerkinElmer),
-LuciferaseInhibition,,602475,,36,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with an in-house formulation of detection reagent,
-LuciferaseInhibition,,602476,,31,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based translational read-through assay,
-LuciferaseInhibition,,602477,,87,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based assay to assess the activity of miR-21,
-LuciferaseInhibition,,624030,,104,,,,Biochemical firefly luciferase enzyme assay for NPC,
-LuciferaseInhibition,,652016,,35,,,,qHTS Assay for Inhibitors of Firefly Luciferase from the GSK Published Protein Kinase Inhibitor Set,
-LuciferaseInhibition,,720522,,58,,,,Nrf2 qHTS screen for inhibitors: Purified Fluc Biochemical Counterscreen for Hit Validation,
-LuciferaseInhibition,,720835,,31,,,,GSK_PKIS: Inhibition of Firefly Luciferase (Data from PubChem: AID 652016) [NIH NCATS],activity <= 10uM
-LuciferaseInhibition,,1224835,,712,,,,qHTS assay to identify small molecule inhibitors of firefly luciferase,
-LuciferaseInhibition,,1347047,,10,,,,Natriuretic polypeptide receptor (hNpr1) antagonism - Confirmation firefly luciferase (FLuc) inhibition counterscreen,
-LuciferaseInhibition,Firefly_Luciferase,,,94,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
-LuciferaseInhibition,Nano_Luciferase,,,84,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
-LuciferaseInhibition,Luc_IC50,,,551,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,
-Misannotation,Bisson2016,,,39,Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?,"(Bisson, 2016, 10.1021/acs.jmedchem.5b01009)",,,"metabolites entered into NAPRALERT in the top 20 for occurances, activities, and distinct activities"
-Reactivity,,672,,4,Development and Implementation of a 384-WellHomogeneous Fluorescence Intensity High-ThroughputScreening Assay to Identify Mitogen-Activated Protein KinasePhosphatase-1 Dual-Specificity Protein Phosphatase Inhibitors,"(Johnston, 2007, 10.1089/adt.2007.066)",,Redox Cycling Hydrogen Peroxide Generation Assay; MKP-1 and MKP-3 Probe Assessment.,Redox Cycling Hydrogen Peroxide Generation Assay
-Reactivity,,682,,13,Cdc25B Dual-Specificity Phosphatase Inhibitors Identified in a High-Throughput Screen of the NIH Compound Library,"(Johnston, 2010, 10.1089/adt.2008.186)",,Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment: Compound Dose Dependent Redox Cycling H2O2 Generation in 0.5 mM DTT,Redox Cycling H2O2 Generation Assay
-Reactivity,,936,,2,NA,,,"Concentration Response Redox Cycling H2O2 Generation assay, 1 mM DTT, to characterize small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS",Redox Cycling H2O2 Generation assay
-Reactivity,Thiol_training_set,,,905,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
-Reactivity,Tox21_MSTI,,,2183,Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library,"(Patlewicz, 2023, 10.1016/j.comtox.2023.100271)",https://clowder.edap-cluster.com/files/64357989e4b08a6b393f7bd1?dataset=61147fefe4b0856fdc65639b&space=&folder=6435797ae4b08a6b393f7bcd,,
-REDOX,,878,,64,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the LOPAC Library
-REDOX,,888,,3,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Catalase,
-REDOX,,929,,2,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Cysteine,
-REDOX,,1234,,24,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation 10-point Concentration Response Confirmation Assay,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the NIH SMR library
-REDOX,Redox_training_set,,,124,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,

+Type,DatasetName,AID,AID_confirmatory,NumActiveCompounds,Paper Title,Reference,URL,Assay Name,Description
+Absorbance,,632,,43,A Novel Class of Small Molecule Inhibitors of Hsp90,"(Yi, 2008, 10.1021/cb800162x)",,Confirmation Concentration-Response Assay and Counterscreen for Disrupters of an Hsp90 Co-Chaperone Interaction,Interference compounds have a score of 10
+Absorbance,,1641,,92,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2),TR-FRET counterscreen for FAK inhibitors
+Absorbance,,1730,,10,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay
+Absorbance,,1857,,290,,,,FRET-based counterscreen assay for selective VIM-2 inhibitors: biochemical high throughput screening assay to identify epi-absorbance assay artifacts,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
+Absorbance,,1926,,118,,,,FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
+Absorbance,,435026,,507,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Fluorescence Cell-Free Homogeneous Counterscreen to Identify Inhibitors of the RanGTP-Importin-beta complex,fluorescence resonance energy transfer (FRET)-based biochemical assay used as counterscreen
+Absorbance,,504689,,59,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen,uHTS identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay
+Absorbance,,720541,,416,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,qHTS for Inhibitors of the Phosphatase Activity of Eya2: Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds,Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds
+Absorbance,,1159604,,51,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads
+Artifact,transporter,485270,492964,701,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,transcription,1040,1254,501,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,transcription_2,628,677,1396,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,GPCR_2,1672,2032,942,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,GPCR_3,449739,489005,940,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,ion_channel,2239,2287,175,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,ion_channel_2,2661,2821,191,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,ion_channel_3,488975,493221,383,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,kinase,504558,588343,48,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,GPCR,2098,2382,923,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,serine,624304,624474,1150,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,transcription_3,485273,493155,1119,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,ubiquitin,873,1431,853,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,splicing,2221,435010,243,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,channel_atp,720511,743267,548,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,cysteine_protease,686996,720632,393,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Artifact,zinc_finger,1832,1960,446,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
+Autofluoresence,,587,,34,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Texas Red Spectral Region,
+Autofluoresence,,588,,25,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Resorufin Spectral Region,
+Autofluoresence,,589,,6214,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in 4-MU Spectral Region,
+Autofluoresence,,590,,6427,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A350 Spectral Region,
+Autofluoresence,,591,,59,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A488 Spectral Region,A488 Spectral Region; 480 nm and 540 nm excitation and emission
+Autofluoresence,,592,,0,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A647 Spectral Region,
+Autofluoresence,,593,,532,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Fluorescein Spectral Region,480 nm and 540 nm excitation and emission
+Autofluoresence,,594,,32,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Rhodamine Spectral Region,
+Autofluoresence,,709,,3590,,,,Profiling the NIH Molecular Libraries Small Molecule Repository: Autofluorescence at 339/460 nm,"Autofluorescence at 339/460 nm; For fluorescent compounds, Dye equivalent concentration at given concentration > 10μm/ Fold Increase at 10μm; Blue non-fluorescent compounds need to be validated more than three times, while green non-fluorescent compounds should be validated more than five times."
+Autofluoresence,,923,,779,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1: Spectroscopic Profiling in AFC Spectral Region,405 nm excitation/520 nm emission
+Autofluoresence,,1480,,89,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in IgMXP3 at 488/530 nm; counter screen to single point confirmation of ABCG2 screen,in IgMXP3 cells (ABCG2) 488/530 nm
+Autofluoresence,,1483,,83,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in CCRF-Adr at 488/530 nm; counter screen to single point confirmation of ABCB1 screen,in CCRF-Adr (ABCB1 expressing cells) at 488/530 nm
+Autofluoresence,,1696,,342,"Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy- D-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC)","(Sivendran, 2010, 10.1016/j.bmc.2009.11.033)",,Rml C and D fluorescent artifact dose-response confirmation,340/460 nm
+Autofluoresence,,1775,,825,,,,Profiling compound fluorescence on Avidin Beads with 488 nm excitation and 530 nm emission,on Avidin Beads with 488 nm excitation and 530 nm emission
+Autofluoresence,,1776,,489,,,,Profiling compound fluorescence on GSH Beads with 488 nm excitation and 530 nm emission,on GSH Beads with 488 nm excitation and 530 nm emission
+Autofluoresence,,2124,,198,,,,Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caused By Cell-Permeable Autofluorescent Compounds,488nm excitation / 535 nm emission
+Autofluoresence,,2757,,9,,,,Test compound autofluorescence in Saccharomyes cerevisiae specifically s288c,520 nm emission in Saccharomyes cerevisiae s288c
+Autofluoresence,,588517,,63,,,,Compound fluorescence counter screen for HTS for inhibitors of efflux pump with Cherry Pick1 compound set,488 nm excitation
+Autofluoresence,,588620,,13,,,,Dose response compound fluorescence counter screen for HTS for inhibitors of efflux pump with Hit compounds from Cherry Pick1,488 nm excitation
+Autofluoresence,,624483,,10930,,,,Counterscreen of compound fluorescence effects on High-throughput multiplex microsphere screening for inhibitors of toxin protease,Spherotech Blue Array Particle kit
+Autofluoresence,,720675,,21,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cells,535 nm (green) in HepG2 cells
+Autofluoresence,,720678,,35,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cells,460 nm (blue) in HEK293 cells
+Autofluoresence,,720680,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells,535 nm (green) in HEK293 cells
+Autofluoresence,,720681,,37,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cell free culture,460 nm (blue) in HEK293 cell
+Autofluoresence,,720682,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell free culture,535 nm (green) in HEK293 cell
+Autofluoresence,,720686,,20,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cell free culture,535 nm (green) in HepG2 cell
+Autofluoresence,,720687,,32,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HepG2 cells,460 nm (blue) in HepG2 cells
+Autofluoresence,hepg2_cell_blue_n,,,216,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hepg2_cell_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hepg2_cell_red_n,,,39,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hepg2_med_blue_n,,,209,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hepg2_med_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hepg2_med_red_n,,,37,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_cell_blue_n,,,210,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_cell_green_n,,,56,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_cell_red_n,,,33,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_med_blue_n,,,224,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_med_green_n,,,44,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+Autofluoresence,hek293_med_red_n,,,34,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
+ColloidalAggregators,,585,,1256,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent),
+ColloidalAggregators,,1476,,4500,"Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease","(Jadhav, 2010, 10.1021/jm901070c)",,qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent),Inhibitors of Cruzain (without detergent)
+ColloidalAggregators,,485341,,1730,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent),qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent)
+ColloidalAggregators,AggregatorAdvisor,,,12644,An Aggregation Advisor for Ligand Discovery,"(Irwin, 2015, 10.1021/acs.jmedchem.5b01105)",https://advisor.bkslab.org/,,20 diverse sources
+HeavyHitters,Matlock2018,,,13068,Modeling Small-Molecule Reactivity Identifies Promiscuous Bioactive Compounds,"(Matlock, 2018, 10.1021/acs.jcim.8b00104)",https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00104/suppl_file/ci8b00104_si_001.zip,,"PubChem2016, non-ChEMBL tested in at least 100 assays"
+HeavyHitters,Goodwin2020,,,1000,Statistical models for identifying frequent hitters in high throughput screening,"(Goodwin, 2020, 10.1038/s41598-020-74139-0)",https://www.nature.com/articles/s41598-020-74139-0#Sec20,,
+HeavyHitters,Aggregators,,,16820,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Green_fluorescence,,,8441,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Fluc_inhibitors,,,12092,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Blue_fluorescence,,,4871,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Reactive_compounds,,,6056,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Promiscuous_compounds,,,8089,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+HeavyHitters,Other_assay_interference,,,1544,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
+LuciferaseInhibition,,411,,1571,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,qHTS Assay for Inhibitors of Firefly Luciferase,ATP concentration in the assay (10 uM)
+LuciferaseInhibition,,1006,,2976,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,Counter Screen for Luciferase-based Primary Inhibition Assays,with >50% inhibition at 10 uM concentration
+LuciferaseInhibition,,1379,,565,A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution,"(Auld, 2009, 10.1021/jm8014525)",,Counterscreen for Luciferase (Kinase-Glo TM) Inhibition,
+LuciferaseInhibition,,1891,,446,,,,Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase,EC50 <= 1 log over the highest tested concentration
+LuciferaseInhibition,,2515,,10,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Probe SAR,NIH Chemical Genomics Center (NCGC) Assay
+LuciferaseInhibition,,2530,,46,,,,Secondary Assay for Luciferase (Kinase-Glo TM) Inhibition Counterscreen,
+LuciferaseInhibition,,366887,,8,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay,activity <= 10uM
+LuciferaseInhibition,,366889,,1,,,,Inhibition of Photinus pyralis luciferase assessed as maximum inhibitory potency by quantitative high throughput screening,activity <= 10uM
+LuciferaseInhibition,,366891,,19,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay,activity <= 10uM
+LuciferaseInhibition,,488838,,41,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Further Probe SAR,
+LuciferaseInhibition,,493175,,0,,,,miR-21 counterscreen using purified firefly luciferase,
+LuciferaseInhibition,,588342,,25069,"Firefly luciferase in chemical biology: a compendium ofinhibitors, mechanistic evaluation of chemotypes, and suggested use as areporter.","(Thorne, 2012, 10.1016/j.chembiol.2012.07.015)",,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for miR-21 project),
+LuciferaseInhibition,,588498,,18,,,,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for the Campaign to Identify EBNA-1 Inhibitors project).,
+LuciferaseInhibition,,602357,,104,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate,
+LuciferaseInhibition,,602358,,102,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate and 500microM CoASH,
+LuciferaseInhibition,,602364,,89,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with 1mM ATP,
+LuciferaseInhibition,,602474,,53,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with a commercial detection reagent - BriteliteTM Plus (PerkinElmer),
+LuciferaseInhibition,,602475,,36,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with an in-house formulation of detection reagent,
+LuciferaseInhibition,,602476,,31,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based translational read-through assay,
+LuciferaseInhibition,,602477,,87,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based assay to assess the activity of miR-21,
+LuciferaseInhibition,,624030,,104,,,,Biochemical firefly luciferase enzyme assay for NPC,
+LuciferaseInhibition,,652016,,35,,,,qHTS Assay for Inhibitors of Firefly Luciferase from the GSK Published Protein Kinase Inhibitor Set,
+LuciferaseInhibition,,720522,,58,,,,Nrf2 qHTS screen for inhibitors: Purified Fluc Biochemical Counterscreen for Hit Validation,
+LuciferaseInhibition,,720835,,31,,,,GSK_PKIS: Inhibition of Firefly Luciferase (Data from PubChem: AID 652016) [NIH NCATS],activity <= 10uM
+LuciferaseInhibition,,1224835,,712,,,,qHTS assay to identify small molecule inhibitors of firefly luciferase,
+LuciferaseInhibition,,1347047,,10,,,,Natriuretic polypeptide receptor (hNpr1) antagonism - Confirmation firefly luciferase (FLuc) inhibition counterscreen,
+LuciferaseInhibition,Firefly_Luciferase,,,94,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
+LuciferaseInhibition,Nano_Luciferase,,,84,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
+LuciferaseInhibition,Luc_IC50,,,551,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,
+Misannotation,Bisson2016,,,39,Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?,"(Bisson, 2016, 10.1021/acs.jmedchem.5b01009)",,,"metabolites entered into NAPRALERT in the top 20 for occurances, activities, and distinct activities"
+Reactivity,,672,,4,Development and Implementation of a 384-WellHomogeneous Fluorescence Intensity High-ThroughputScreening Assay to Identify Mitogen-Activated Protein KinasePhosphatase-1 Dual-Specificity Protein Phosphatase Inhibitors,"(Johnston, 2007, 10.1089/adt.2007.066)",,Redox Cycling Hydrogen Peroxide Generation Assay; MKP-1 and MKP-3 Probe Assessment.,Redox Cycling Hydrogen Peroxide Generation Assay
+Reactivity,,682,,13,Cdc25B Dual-Specificity Phosphatase Inhibitors Identified in a High-Throughput Screen of the NIH Compound Library,"(Johnston, 2010, 10.1089/adt.2008.186)",,Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment: Compound Dose Dependent Redox Cycling H2O2 Generation in 0.5 mM DTT,Redox Cycling H2O2 Generation Assay
+Reactivity,,936,,2,,,,"Concentration Response Redox Cycling H2O2 Generation assay, 1 mM DTT, to characterize small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS",Redox Cycling H2O2 Generation assay
+Reactivity,Thiol_training_set,,,905,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
+Reactivity,Tox21_MSTI,,,2183,Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library,"(Patlewicz, 2023, 10.1016/j.comtox.2023.100271)",https://clowder.edap-cluster.com/files/64357989e4b08a6b393f7bd1?dataset=61147fefe4b0856fdc65639b&space=&folder=6435797ae4b08a6b393f7bcd,,
+REDOX,,878,,64,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the LOPAC Library
+REDOX,,888,,3,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Catalase,
+REDOX,,929,,2,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Cysteine,
+REDOX,,1234,,24,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation 10-point Concentration Response Confirmation Assay,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the NIH SMR library
+REDOX,Redox_training_set,,,124,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,

README.md CHANGED Viewed

@@ -91,7 +91,8 @@ Specifiy column types to prevent pyarrow error.
 features = Features({
     "Type": Value("string"),
     "DatasetName": Value("string"),
-    "AID": Value("string"), # Treat this as string to deal with NaN values
     "ID": Value("string"),
     "IDType": Value("string"),
     "SMILES": Value("string")

 features = Features({
     "Type": Value("string"),
     "DatasetName": Value("string"),
+    "AID": Value("int64"),
+    "AID_confirmatory": Value("int64"),
     "ID": Value("string"),
     "IDType": Value("string"),
     "SMILES": Value("string")