Table S1. Full ksRepo results for GSE58477 and GSE63409. Compound Name FDR FDR GSE58477 GSE63409 ABACAVIR 0.4169357639 0.6971455224 ABIRATERONE 1 1 ACAMPROSATE 0.1591 0.5654086538 ACARBOSE 0.7406241033 0.8583732661 ACEBUTOLOL 0.8232993631 0.9806125131 ACENOCOUMAROL 0.971244382 0.9906314969 ACETAMINOPHEN 1 1 ACETAZOLAMIDE 0.4080291971 0.5654086538 ACETIC ACID 0.2442463235 0.3610897436 ACETOHYDROXAMIC ACID 0.7857113821 0.8583732661 ACETOPHENAZINE 0.971244382 1 ACETYLCARNITINE 0.5007687927 0.6107492114 ACETYLCHOLINE 0.4484130982 0.6223020528 ACETYLCYSTEINE 0.9886436464 0.905734104 ACITRETIN 0.7917460317 0.8976439483 ACRIVASTINE 1 0.8601348808 ADAPALENE 0.1723412698 0.6085267857 ADEFOVIR DIPIVOXIL 1 0.9517829241 ADENINE 1 1 ADENOSINE 0.839575 0.8794634293 ADENOSINE MONOPHOSPHATE 0.3943003731 0.7940931721 ADENOSINE TRIPHOSPHATE 0.45875625 0.6107492114 ADINAZOLAM 0.5889218456 0.9583838106 ADO-TRASTUZUMAB EMTANSINE 0.7514295875 0.9929090909 AJMALINE 0.4484130982 0.6971455224 ALBENDAZOLE 0.359606599 0.8794634293 ALENDRONATE 0.9508660508 0.8083940853 ALFACALCIDOL 0.4558646617 0.5654086538 ALFENTANIL 0.7097967791 0.6389606742 ALFUZOSIN 0.6311230637 0.5654086538 ALISKIREN 0.5421933472 0.7166666667 0.0358333333 ALITRETINOIN 0.026875 3 ALLOPURINOL 0.7559922316 0.6971455224 ALLYLESTRENOL 0.971244382 1 ALMOTRIPTAN 0.4484130982 0.6085267857 ALPHA-LINOLENIC ACID 0.446463964 0.6971455224 ALPRAZOLAM 0.790246996 0.9929090909 ALPRENOLOL 0.3661872146 0.6971455224 ALPROSTADIL 0.4248458904 0.7612788906 ALUMINUM HYDROXIDE 0.1738970588 0.5654086538 ALVIMOPAN 0.498966895 0.5866049383 AMANTADINE 0.653177496 0.8174084125 AMBRISENTAN 0.3107012195 0.6085267857 AMIFOSTINE 1 0.7230427046 AMIKACIN 0.3726982379 0.5654086538 AMILORIDE 0.8483209877 0.9906314969 AMINOCAPROIC ACID 1 0.8583732661 AMINOGLUTETHIMIDE 0.5421933472 1 AMINOLEVULINIC ACID 0.9356154748 0.9806125131 AMINOPHYLLINE 0.1491836735 0.369695122 AMINOSALICYLIC ACID 0.968594457 0.5971493902 AMIODARONE 0.5548802395 0.9929090909 AMITRIPTYLINE 0.1663207547 0.5866049383 AMLEXANOX 0.493534279 0.6971455224 AMLODIPINE 0.4296587302 0.5752192982 AMMONIUM CHLORIDE 0.8483209877 0.7611801242 AMOBARBITAL 0.4484130982 0.7356261023 AMODIAQUINE 0.8463957816 0.6085267857 AMOXAPINE 0.4484130982 0.7499748322 AMOXICILLIN 0.7105206738 0.8583732661 AMPHETAMINE 0.4484130982 0.7651567278 AMPHOTERICIN B 1 1 AMPICILLIN 0.7182293233 0.6085267857 AMPRENAVIR 0.7105408472 0.6693702771 AMRINONE 0.621131993 0.6072807018 AMSACRINE 1 0.7611801242 ANAGRELIDE 0.5059829545 0.6085267857 ANASTROZOLE 0.4169357639 0.6223020528 ANTAZOLINE 0.4484130982 0.6971455224 ANTIPYRINE 0.3107012195 0.5654086538 APOMORPHINE 0.3726982379 0.6107492114 APREPITANT 0.7087037037 0.7373036649 APRINDINE 0.3661872146 0.7669742814 ARANIDIPINE 0.761520979 0.7612788906 ARGATROBAN 0.7520438472 0.902125 0.0716666666 ARIPIPRAZOLE 7 0.3610897436 ARSENIC TRIOXIDE 1 0.9663302503 ARTEMETHER 0.4708656174 0.7450548986 ARTESUNATE 1 0.9683161605 ASPARTAME 0.653177496 0.9806125131 ASTEMIZOLE 0.0846969697 0.5635606061 ATENOLOL 0.6048851103 0.7611801242 ATOVAQUONE 0.3931552419 0.5866049383 ATROPINE 0.653177496 0.6126164596 AURANOFIN 0.8151619171 0.8467562254 AVOBENZONE 0.5722370937 0.7693882175 AZACITIDINE 0.4484130982 0.5752192982 AZATADINE 0.2442463235 0.5866049383 AZATHIOPRINE 0.9027194543 0.7669742814 AZELAIC ACID 0.2972058824 0.6085267857 AZELASTINE 0.3917975207 0.6166411043 AZELNIDIPINE 0.971244382 1 AZITHROMYCIN 0.7097967791 0.6971455224 AZTREONAM 0.4296587302 0.6971455224 BACLOFEN 0.5421933472 0.5654086538 BAMBUTEROL 0.8879706235 0.9088523645 BAZEDOXIFENE 0.8626219512 0.8910414201 0.0958783783 BECLOMETHASONE 8 0.4985775862 0.0761458333 0.0358333333 BELINOSTAT 3 3 BENAZEPRIL 0.7105408472 0.8954117647 BENDROFLUMETHIAZIDE 0.9508660508 0.9734142395 BENIDIPINE 0.7337030347 0.9946190716 BENZOCAINE 0.6350428816 0.7722774481 BENZOIC ACID 0.6007235622 0.5654086538 BENZOPHENONE 1 0.7612788906 BENZOYL PEROXIDE 0.7705409154 0.9138115693 BENZPHETAMINE 0.4296587302 0.9806125131 BENZYDAMINE 0.7337030347 0.6085267857 BENZYL ALCOHOL 1 0.8045353675 BENZYL BENZOATE 0.6007235622 0.858919598 BEPRIDIL 0.653177496 0.9186028571 BETAMETHASONE 1 0.8583732661 BETAXOLOL 0.5722370937 0.9806125131 BETHANECHOL 0.4955549065 0.6971455224 BEXAROTENE 0.8166131105 0.9516275168 BEZAFIBRATE 0.7874120433 0.6971455224 BICALUTAMIDE 1 1 BIFONAZOLE 0.7097967791 0.9630452563 BIOTIN 0.8570981595 0.6332276657 BISOPROLOL 0.359606599 0.6971455224 BIVALIRUDIN 0.6525 0.9185469108 BLEOMYCIN 1 0.8604036295 BOPINDOLOL 0.4484130982 0.6971455224 BORTEZOMIB 1 1 BOSENTAN 0.7891510067 0.7423758562 BOSUTINIB 0.7891510067 0.6971455224 BRINZOLAMIDE 0.5138789238 0.6085267857 BROMAZEPAM 0.9759899889 0.6971455224 BROMFENAC 0.4313479624 0.6830783133 BROMHEXINE 0.4484130982 0.6971455224 0.0815517241 BROMOCRIPTINE 4 0.6210756677 BROMPHENIRAMINE 0.3604726368 0.6425977654 BROTIZOLAM 0.6375042517 0.8583732661 BUDESONIDE 0.1212234043 0.5654086538 BUMETANIDE 0.1075 0.6971455224 BUPIVACAINE 0.433993808 0.8858820024 BUPRANOLOL 0.7628596369 0.890513658 BUPRENORPHINE 0.6094230769 0.6085267857 BUPROPION 1 0.9929090909 BUSERELIN 0.7337030347 0.954796544 0.0996341463 BUSPIRONE 4 0.6085267857 BUSULFAN 1 1 BUTENAFINE 0.4381935976 0.6085267857 BUTOCONAZOLE 0.3943003731 0.7611801242 BUTORPHANOL 0.498966895 0.5866049383 CABERGOLINE 0.653177496 0.6085267857 CAFFEINE 0.9046010638 0.9806125131 CALCITRIOL 0.2442463235 0.2597916667 CALCIUM CARBONATE 0.9503099652 0.7611801242 CALCIUM CHLORIDE 0.1670089286 0.6971455224 CALFACTANT 0.9380908033 0.8794634293 CAMPHOR 0.3651913876 0.5866049383 CANAGLIFLOZIN 0.2442463235 0.3610897436 CANDESARTAN 0.3107012195 0.6106292517 CANGRELOR 0.6525 0.5654086538 CAPECITABINE 1 0.8794634293 CAPSAICIN 1 1 CARBACHOL 0.4369248466 0.7992587413 CARBAMAZEPINE 1 0.9831959034 CARBIDOPA 0.5191055556 0.6085267857 CARBIMAZOLE 0.6129991087 0.6106292517 CARBINOXAMINE 0.4484130982 0.6971455224 CARBON DIOXIDE 0.839575 0.9583838106 CARBOPLATIN 0.973519037 0.9929090909 CARFILZOMIB 1 0.9201022727 CARISOPRODOL 0.4296587302 0.6085267857 CARMUSTINE 0 0.43215 CARTEOLOL 0.5722370937 0.9806125131 CARVEDILOL 0.05375 0.6177140673 CASPOFUNGIN 0.5421933472 0.6971455224 CEFACLOR 0.2238761468 0.6971455224 CEFADROXIL 0.4484130982 0.6971455224 CEFAZOLIN 0.5421933472 0.9512486002 CEFDINIR 0.4400679758 0.6971455224 CEFEPIME 1 0.9929090909 CEFMETAZOLE 1 0.791942446 CEFOTAXIME 0.4484130982 0.3610897436 CEFOTIAM 0.4400679758 0.6971455224 CEFOXITIN 0.6251826087 0.6107492114 CEFPODOXIME 0.653177496 0.6085267857 CEFTAZIDIME 0.7042757009 0.7230427046 CEFTIBUTEN 0.3479768786 0.750882107 CEFTIZOXIME 0.6211111111 0.8464388962 CEFTRIAXONE 0.8317676768 0.8654480841 CEFUROXIME 0.5722370937 0.6085267857 CELECOXIB 1 0.9806125131 CELIPROLOL 0.8278594148 0.9737419355 CEPHALEXIN 0.4296587302 0.6971455224 CEPHALORIDINE 0.4400679758 0.6971455224 CERULENIN 1 1 CERULETIDE 0.413046595 0.6389606742 CETIRIZINE 0.839575 0.7450548986 CETRORELIX 0.5191055556 0.6971455224 CHENODEOXYCHOLIC ACID 0.4484130982 0.6085267857 CHLORAL HYDRATE 0.2487857143 0.6458811475 CHLORAMBUCIL 1 0.7611801242 CHLORAMPHENICOL 0.5548737374 0.9241827469 0.0955555555 CHLORCYCLIZINE 6 0.6126164596 CHLORDIAZEPOXIDE 0.6094230769 0.6107492114 CHLORHEXIDINE 0.4484130982 0.6971455224 CHLOROQUINE 0.985 0.8583732661 CHLORPROMAZINE 0.7145588235 0.8794634293 CHLORPROPAMIDE 0.2716554054 0.7611801242 CHLORPROTHIXENE 0.4484130982 0.3610897436 CHLORTETRACYCLINE 0.2017134831 0.6106292517 CHLORTHALIDONE 0.5421933472 0.7166666667 CHLORZOXAZONE 0.4484130982 0.6085267857 CHOLECALCIFEROL 0.9652885714 0.8583732661 CHOLIC ACID 0.1926041667 0.5654086538 CHOLINE 0.2963322368 0.6425977654 CHORIONIC GONADOTROPIN 0.8492632552 0.7055550459 CHROMIC CHLORIDE 0.2734395973 0.5866049383 CICLESONIDE 0.8317676768 0.7992587413 CICLOPIROX 0.8537853629 0.7562687813 CIDOFOVIR 1 1 CILAZAPRIL 0.3065483871 0.5654086538 CILNIDIPINE 0.3767173913 0.6971455224 CILOSTAZOL 0.4708656174 0.6971455224 0.0716666666 CIMETIDINE 7 0.6303125 CINITAPRIDE 0.7857113821 0.7611801242 CINNARIZINE 0.6094230769 0.6107492114 CINOXACIN 0.4296587302 0.6971455224 CIPROFLOXACIN 0.5548737374 0.8464388962 CISAPRIDE 0.359606599 0.7651567278 CISPLATIN 1 1 CITALOPRAM 0.2017134831 0.7071023766 CLADRIBINE 1 0.9791247323 CLARITHROMYCIN 0.3661872146 0.6389606742 CLEMASTINE 0.2442463235 0.5866049383 CLENBUTEROL 0.2099292453 0.2597916667 CLIDINIUM 0.4484130982 0.6971455224 CLINDAMYCIN 0.5330501089 0.6971455224 CLINOFIBRATE 0.729624256 0.6971455224 CLOBAZAM 0.9652885714 0.8944811321 CLOFARABINE 1 1 CLOFAZIMINE 0.4080291971 0.5458984375 CLOFIBRATE 1 0.9806125131 CLOMIPRAMINE 0.2393043478 0.5866049383 CLONAZEPAM 0.3943003731 0.7611801242 CLONIDINE 0.2493085106 0.5866049383 CLOPIDOGREL 0.4708656174 0.6830783133 CLOTRIMAZOLE 1 0.8583732661 CLOXACILLIN 0.6094230769 0.6107492114 CLOXAZOLAM 0.6211111111 0.3610897436 CLOZAPINE 0.026875 0.4139893617 COCAINE 0.359606599 0.5752192982 CODEINE 0.6211111111 0.7036003683 COLCHICINE 1 0.9906314969 COPPER 1 1 COSYNTROPIN 0.7891510067 0.8078832873 CREATINE 0.643739531 0.902125 CRIZOTINIB 0.985 0.6322615607 CUPRIC CHLORIDE 1 1 CYAMEMAZINE 0.653177496 0.7992587413 CYCLOBENZAPRINE 0.4484130982 0.6971455224 CYCLOPHOSPHAMIDE 0.4296587302 0.6085267857 CYCLOSERINE 0.7973854712 0.9690140845 CYCLOSPORINE 1 1 CYCLOTHIAZIDE 0.4484130982 0.939229684 CYPROHEPTADINE 0.205127551 0.4139893617 CYPROTERONE ACETATE 0.359606599 0.8794634293 CYSTEAMINE 0.5356344902 0.9929090909 CYTARABINE 0 0 CYTISINE 0.4296587302 0.9929090909 DABRAFENIB 0.839575 0.791942446 DACARBAZINE 1 0.791942446 DACTINOMYCIN 0.2087980769 0.8858820024 DALTEPARIN 0.9380908033 0.8583732661 DANAZOL 0.7412732475