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{"sheet":"Sheet1","index":0,"n_rows":112,"n_cols":27,"rows_kept":112,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Results using RDKit descriptors."]
["Non-toxic class denoted as 0, toxic as 1."]
[]
["Significance",0.30000000000000004]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Average",0.7262020139077837,0.7235736809125844,0.7263019586405898,{"$nulls":8},0.7031882666365166,0.7027971328591724,0.02301374727126725,0.020776548053412055,0.18459385155602184,0.19397746168149027,null,null,null,0.7921477700714682,0.8877821181925382,0.784335930936035,0.8967745945406626,0.7921889733218813,0.8878762287636185]
[]
["Significance",0.25]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Average",0.7753586875536557,0.7813086353054942,0.7754968862099803,{"$nulls":8},0.7117105354055486,0.7242973975590609,0.06364815214810707,0.05701123774643345,0.20151481761261286,0.19871941973993792,null,23208,null,0.7744399730200214,0.9132253530181614,0.7830861354064993,0.9230168172989986,0.7745989865240985,0.9133053985347269]
[]
["Significance",0.2]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Significance",0.15]
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[]
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[]
["Average",0.914676959784136,0.9388755439863651,0.9148556066642701,{"$nulls":8},0.3901003524797009,0.5710491728310924,0.5245766073044352,0.3678263711552728,0.08532304021586394,0.06112445601363495,null,null,null,0.7684948525372948,0.47542339269556483,0.9054517459843744,0.6321736288447273,0.7700168399366228,0.4764095373925726]

{"sheet":"Sheet2","index":1,"n_rows":112,"n_cols":27,"rows_kept":112,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Results uding Molprint2D descriptors"]
["Non-toxic class denoted as 0, toxic as 1."]
[]
["Significance",0.30000000000000004]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Average",0.7430465673646492,0.7399067909925442,0.7432843340857942,{"$nulls":8},0.7071102311839943,0.7076853148043664,0.035936336180654935,0.032221476188177965,0.17582414043932115,0.19195631369302038,null,null,null,0.7933512292868528,0.8829343716233155,0.7856841703393583,0.8996416284973866,0.7935187015244551,0.8830993771468991]
[]
["Significance",0.25]
["Median 100 repeats:"]
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[]
["Average",0.7881528781760793,0.7957630724198866,0.788409271009907,{"$nulls":8},0.6978499155576193,0.728663561198908,0.09030296261845988,0.06709951122097854,0.19111717174016957,0.18673896962858444,null,null,null,0.766214538971465,0.888967087297789,0.7966015927377906,0.9154025308274927,0.766659694453685,0.8891661650167145]
[]
["Significance",0.2]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Significance",0.15]
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[]
["Significance",0.1]
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[]
["Average",0.9178009569961649,0.9580686492671324,0.9181406917202073,{"$nulls":8},0.28365251733929975,0.602490626155693,0.6341484396568653,0.3555780231114395,0.08219904300383506,0.04193135073286745,null,null,null,0.6342636941644764,0.3658515603431349,0.9384780701464515,0.6444219768885605,0.6392282902337731,0.36778394693822114]

{"sheet":"Sheet3","index":2,"n_rows":112,"n_cols":27,"rows_kept":112,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Results on 80% training set using RDKit"]
["Non-toxic class denoted as 0, toxic as 1."]
[]
["Significance",0.30000000000000004]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Significance",0.25]
["Median 100 repeats:"]
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[]
["Average",0.7753168207250094,0.776717430414764,0.775419312912316,{"$nulls":8},0.7021084400692525,0.7172156064221451,0.07320838065575674,0.05950182399261874,0.20671886091802325,0.20717488920868737,null,null,null,0.76824679804496,0.9088273009872757,0.7737031648650765,0.9243904956308326,0.768385196525064,0.9089570623095353]
[]
["Significance",0.2]
["Median 100 repeats:"]
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[]
["Significance",0.15]
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[]
["Significance",0.1]
["Median 100 repeats:"]
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[]
["Average",0.9145061439538333,0.9384461622883341,0.9146788143475245,{"$nulls":8},0.36492306644591266,0.554994193078928,0.5495830775079208,0.38345196920940605,0.08549385604616656,0.06155383771166587,null,null,null,0.7584017928528006,0.4504169224920792,0.8991433623203726,0.616548030790594,0.7599149867312636,0.4514453352462574]

{"sheet":"Sheet4","index":3,"n_rows":112,"n_cols":27,"rows_kept":112,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Results on 20% external test set  using RDKit descriptors."]
["Non-toxic class denoted as 0, toxic as 1."]
[]
["Significance",0.30000000000000004]
["Median 100 repeats:"]
["AID","Validity 0","Validity 1","Validity Total","Correct 0","Correct 1","Both 0","Both 1","Empty 0","Empty 1","Incorrect 0","Incorrect 1","Correct 0 %","Correct 1 %","Both 0 %","Both 1 %","Incorrect 0 %","Incorrect 1 %","Total 0","Total 1","Total instances","ACC 0","COV 0","ACC 1","COV 1","ACC total","COV total"]
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[]
["Average",0.7242350534582958,0.7194682824244814,0.7243183242951096,{"$nulls":8},0.7046625489147821,0.694782026917156,0.019572504543513756,0.024686255507325457,0.1881017842960931,0.2058714553357014,null,null,null,0.7902504994920024,0.8927643332108751,0.7678447318538556,0.9006534822528572,0.7902358978680498,0.8928285064085364]
[]
["Significance",0.25]
["Median 100 repeats:"]
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[]
["Average",0.7734578922400256,0.7694130640126555,0.7735119966817838,{"$nulls":8},0.7134988524818271,0.7127112257936622,0.05995903975819839,0.056701838218993224,0.20505651016851437,0.21054334874477784,null,null,null,0.7728765292256427,0.9185553626503414,0.765813390761166,0.9232545745384401,0.7729348048904776,0.9186453220843691]
[]
["Significance",0.2]
["Median 100 repeats:"]
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[]
["Significance",0.15]
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[]
["Significance",0.1]
["Median 100 repeats:"]
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