{"meta":{"query_hash":"1b0c40567620","filters":{"venue":"International Journal of Medicinal Chemistry"},"cohort_total":4,"direct_labels_cover":0,"predictions_cover":4,"exported":4,"export_cap":100000,"truncated":false,"label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12"},"permalink":"https://metacan.xera.ac/q/1b0c40567620","api":"https://metacan.xera.ac/api/v1/cohort?venue=International+Journal+of+Medicinal+Chemistry"},"results":[{"id":"W2062361113","doi":"10.1155/2015/418362","title":"Synthesis and Biological Activity of Arylspiroborate Salts Derived from Caffeic Acid Phenethyl Ester","year":2015,"lang":"en","type":"article","venue":"International Journal of Medicinal Chemistry","topic":"Advanced Chemical Sensor Technologies","field":"Engineering","cited_by":6,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Mount Allison University; University of New Brunswick; Université de Moncton","funders":"Natural Sciences and Engineering Research Council of Canada; Mount Allison University; Canada Research Chairs; New Brunswick Innovation Foundation; Fondation de la recherche en santé du Nouveau-Brunswick; Université de Moncton; University of New Brunswick","keywords":"Caffeic acid phenethyl ester; Chemistry; Antioxidant; Caffeic acid; Biological activity; Salt (chemistry); Antimicrobial; Sodium salt; Zileuton; Lipoxygenase; Chelation; Biochemistry; Organic chemistry; In vitro; Enzyme; Arachidonate 5-lipoxygenase; Inorganic chemistry","score_opus":0.024843165182546645,"score_gpt":0.2544907178136306,"score_spread":0.22964755263108394,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2062361113","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9798448,0.0070239203,0.009208652,0.00018145131,0.00006959339,0.00013137679,0.0004738262,0.00010592282,0.0029604158],"genre_scores_gemma":[0.98742235,0.0034324033,0.006214138,0.00006336985,0.000024035307,0.000043540458,0.00040746765,0.000021046299,0.0023716681],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.9999207,0.000015221708,0.000012092458,0.000013980165,0.000021896903,0.000016080718],"domain_scores_gemma":[0.9999232,0.000007871674,0.000027188773,0.000006153703,0.000016225484,0.000019377441],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00014770079,0.0004598432,0.00034051406,0.00016336965,0.00011174629,0.00015362786,0.00021888831,0.00027030695,0.0007870057],"category_scores_gemma":[0.0001694256,0.00010881076,0.00021389776,0.00016251853,0.00013786362,0.00027001667,0.00015522343,0.00023718618,0.00030344055],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00012398548,0.000016503845,0.00007137564,0.00014681043,0.000009053916,0.000052128027,0.000013472937,0.000116505136,0.9965623,0.00009519942,0.000031070387,0.002761549],"study_design_scores_gemma":[0.000018790115,0.00040406236,0.00034521212,0.000005764893,0.000013913448,0.00007477461,0.000007630581,0.00014074415,0.99696976,0.000016938195,0.001996028,0.00000643143],"about_ca_topic_score_codex":0.0004759666,"about_ca_topic_score_gemma":0.0011465007,"teacher_disagreement_score":0.0007870057,"about_ca_system_score_codex":0.0001478107,"about_ca_system_score_gemma":0.00017813385,"threshold_uncertainty_score":0.0026328564},"labels":[],"label_agreement":null},{"id":"W2073517330","doi":"10.1155/2014/931756","title":"Clicked Cinnamic/Caffeic Esters and Amides as Radical Scavengers and 5-Lipoxygenase Inhibitors","year":2014,"lang":"en","type":"article","venue":"International Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Université Laval; Université de Moncton","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; New Brunswick Innovation Foundation; Canada Foundation for Innovation; Fondation de la recherche en santé du Nouveau-Brunswick; Université de Moncton","keywords":"Zileuton; Chemistry; Caffeic acid; Cinnamic acid; Arachidonate 5-lipoxygenase; Lipoxygenase; Stereochemistry; Cycloaddition; Enzyme; Biochemistry; Arachidonic acid; Antioxidant; Catalysis","score_opus":0.005726429002386803,"score_gpt":0.2565072212801021,"score_spread":0.2507807922777153,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2073517330","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.9390129,0.019411912,0.028247593,0.00033393854,0.00019957693,0.00037364045,0.00076624274,0.00037466202,0.011279581],"genre_scores_gemma":[0.97787094,0.00733379,0.0095847845,0.00013394108,0.000051112384,0.00009082175,0.00046721371,0.00002060954,0.0044469894],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99988675,0.000015383146,0.00000868393,0.00002293744,0.000028108176,0.000038088034],"domain_scores_gemma":[0.99993503,0.000008075335,0.00002076416,0.0000066443445,0.000010885366,0.000018674926],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002447153,0.00056455337,0.00026258858,0.00024395352,0.00011892658,0.00015866375,0.00032669076,0.00029299213,0.0018867672],"category_scores_gemma":[0.0001510575,0.00013414651,0.00038865104,0.00018431894,0.0001563287,0.00040913842,0.00021090517,0.0004131534,0.00037944078],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00016670884,0.000049110422,0.00009688624,0.00021703361,0.000021813952,0.00023028911,0.00002983821,0.00035102642,0.9926807,0.00039218762,0.000167821,0.0055965167],"study_design_scores_gemma":[0.000036656096,0.00092171127,0.00062709994,0.000009459557,0.00003164582,0.00023462418,0.0000105186355,0.00041734657,0.992347,0.000048843416,0.005301938,0.000013064077],"about_ca_topic_score_codex":0.00038986,"about_ca_topic_score_gemma":0.00093463797,"teacher_disagreement_score":0.0018867672,"about_ca_system_score_codex":0.00018181467,"about_ca_system_score_gemma":0.00015522211,"threshold_uncertainty_score":0.006311834},"labels":[],"label_agreement":null},{"id":"W2154586782","doi":"10.1155/2011/826792","title":"Synthesis of the Nakanishi Ring-Locked Retinoid","year":2011,"lang":"en","type":"article","venue":"International Journal of Medicinal Chemistry","topic":"Retinoids in leukemia and cellular processes","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":true,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"Dalton Pharma Services (Canada)","funders":"York University","keywords":"Computer science; Ring (chemistry); Chemistry; Algorithm; Database; Organic chemistry","score_opus":0.01021339121686485,"score_gpt":0.2328986247867323,"score_spread":0.22268523356986744,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2154586782","genre_codex":"empirical","genre_gemma":"empirical","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"empirical","genre_consensus":"empirical","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.8112238,0.018371101,0.11790306,0.0010101395,0.0008213491,0.0012910408,0.003938134,0.0012108571,0.044230506],"genre_scores_gemma":[0.8868865,0.009531354,0.069193244,0.00029010963,0.00004650842,0.0005190022,0.001266436,0.00011351717,0.032153357],"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","domain_scores_codex":[0.99989223,0.000012791197,0.000011370587,0.000028958217,0.000023593908,0.000031036714],"domain_scores_gemma":[0.99994755,0.000005624041,0.000009742396,0.000010836178,0.0000120169525,0.000014140038],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00016458405,0.00030638967,0.00043416026,0.0003005785,0.00036204432,0.000249204,0.00036589947,0.00042549626,0.0038454668],"category_scores_gemma":[0.00012656844,0.00021500434,0.0002630459,0.00030151132,0.00015577591,0.00032525315,0.0003365021,0.0006565555,0.0028104323],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.00008997639,0.000039831248,0.00008071202,0.0002595006,0.000013157832,0.0002653934,0.00008846882,0.0005505234,0.97809964,0.002233013,0.00035379088,0.017925944],"study_design_scores_gemma":[0.000034053694,0.0003446894,0.00028710003,0.000013976194,0.000020451156,0.0003564531,0.000026947886,0.00045592897,0.960936,0.00040461018,0.03708542,0.000034353066],"about_ca_topic_score_codex":0.00055660325,"about_ca_topic_score_gemma":0.0012366977,"teacher_disagreement_score":0.0038454668,"about_ca_system_score_codex":0.00039963366,"about_ca_system_score_gemma":0.0008203318,"threshold_uncertainty_score":0.012864351},"labels":[],"label_agreement":null},{"id":"W2597183065","doi":"10.1155/2017/1529402","title":"Biophysical Approaches Facilitate Computational Drug Discovery for ATP-Binding Cassette Proteins","year":2017,"lang":"en","type":"review","venue":"International Journal of Medicinal Chemistry","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":7,"is_retracted":false,"has_abstract":true,"route_ca_aff":true,"route_ca_fund":false,"route_ca_venue":false,"route_about_ca":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Druggability; Drug discovery; Computational biology; In silico; Virtual screening; Biology; Structural biology; Structural bioinformatics; Drug development; ATP-binding cassette transporter; Drug; Nanotechnology; Bioinformatics; Protein structure; Biochemistry; Transporter; Gene; Pharmacology","score_opus":0.15991625222030892,"score_gpt":0.3757313542985516,"score_spread":0.21581510207824267,"validation_status":"score_only:v0-immature-baseline","prediction":{"id":"W2597183065","genre_codex":"review","genre_gemma":"review","domain_codex":null,"domain_gemma":null,"model_version":"metacan-v3-hybrid-931329e0061c","genre_candidate":"review","genre_consensus":"review","domain_candidate":null,"domain_consensus":null,"prediction_status":"machine_predicted_unvalidated","genre_scores_codex":[0.005025018,0.72179866,0.2335486,0.0037447878,0.0009967353,0.00014874947,0.0005440687,0.0010187625,0.033174668],"genre_scores_gemma":[0.047406424,0.8230917,0.121342435,0.0007267641,0.0009947064,0.0002808848,0.00076830026,0.00024434796,0.005144438],"study_design_codex":"design_other","study_design_gemma":"not_applicable","domain_scores_codex":[0.9996835,0.00010284915,0.000024162939,0.000044998193,0.00012615747,0.000018293265],"domain_scores_gemma":[0.9996106,0.00022568155,0.000026474765,0.00003352416,0.000080805905,0.000022928569],"candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006512785,0.0011907473,0.0015107163,0.0011304709,0.0002578414,0.0012854419,0.0012311115,0.0011432839,0.0034777347],"category_scores_gemma":[0.0014994043,0.0004918365,0.0011067869,0.0014703941,0.0006261733,0.0013039353,0.0010063618,0.0020218445,0.0024796014],"study_design_candidate":"not_applicable","study_design_consensus":null,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_system_candidate":false,"about_ca_system_consensus":false,"study_design_scores_codex":[0.000085957225,0.00019081231,0.00083902106,0.009450634,0.00063246355,0.00045636238,0.0001310105,0.14000733,0.011915016,0.15416808,0.030027274,0.65209603],"study_design_scores_gemma":[0.00011547321,0.00016808863,0.00075909327,0.0015905014,0.00031115272,0.0007395336,0.00007453811,0.13812627,0.006785013,0.10964283,0.74158084,0.00010664737],"about_ca_topic_score_codex":0.0011278753,"about_ca_topic_score_gemma":0.00095750054,"teacher_disagreement_score":0.0034777347,"about_ca_system_score_codex":0.00050467474,"about_ca_system_score_gemma":0.0009302837,"threshold_uncertainty_score":0.011634111},"labels":[],"label_agreement":null}]}