{"meta":{"page":1,"per_page":50,"max_per_page":100,"total":13,"total_is_capped":false,"direct_labels_cover":0,"predictions_cover":13,"direct_label_status":"direct model label, unvalidated","prediction_status":"machine_predicted_unvalidated (Codex and Gemma teacher distillation)","score_status":"score_only:v0-immature-baseline (scores rank; they never assert a category)","snapshot":{"source":"OpenAlex, pinned release, all 482 partitions","release":"2026-06-24","frame_built":"2026-07-12","author_layer_release":"2026-06-26"},"query_hash":"0369d0ceb886","filters":{"venue":"Progress in theoretical chemistry and physics"}},"results":[{"id":"W2803638407","doi":"10.1007/978-3-319-74582-4_8","title":"An Ab Initio Study of Boric Acid, Borate, and their Interconversion","year":2018,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Chemical Synthesis and Characterization","field":"Environmental Science","cited_by":14,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Saint Mary's University","funders":"","keywords":"Boric acid; Boron; Ab initio; Chemistry; Hydroxide; Monomer; Ab initio quantum chemistry methods; Inorganic chemistry; Crystallography; Computational chemistry; Molecule; Organic chemistry; Polymer","authors":[{"name":"Cory C. Pye","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007093368373621234,"gpt":0.2188775759144579,"spread":0.2117842075408367,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001600987,0.0002753902,0.000583648,0.0002121478,0.0007058504,0.0005672235,0.0006014185,0.0005036027,0.003175589],"category_scores_gemma":[0.0003336564,0.0003104308,0.0003655808,0.0003754253,0.0004211694,0.0005887479,0.0003606088,0.000657607,0.0003071299],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004469855,"about_ca_system_score_gemma":0.0003580277,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001800827,"about_ca_topic_score_gemma":0.002128185,"domain_scores_codex":[0.9999304,0.00001610217,0.00000179702,0.000007855487,0.00003008864,0.00001380294],"domain_scores_gemma":[0.9999294,0.00005120531,0.000002528807,0.000006717956,0.000006696387,0.000003431111],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.000487286,0.0002943803,0.0005475063,0.001112071,0.00008558436,0.0004077616,0.0006274497,0.1356328,0.1010982,0.6943557,0.008665079,0.05668628],"study_design_scores_gemma":[0.0002088398,0.000149682,0.001526361,0.00009174804,0.0000431462,0.0001848241,0.0002515305,0.8167186,0.04230016,0.1186875,0.01979279,0.00004462467],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8090364,0.01611938,0.03961645,0.001703363,0.0005650828,0.00006592653,0.0002393548,0.0003437541,0.1323104],"genre_scores_gemma":[0.9402037,0.005214842,0.02565118,0.0002424369,0.0001106672,0.00009196727,0.0002681309,0.0001638743,0.02805332],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003175589,"threshold_uncertainty_score":0.0106234,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W92726660","doi":"10.1007/1-4020-4528-x_2","title":"COUPLED-CLUSTERANDCONFIGURATION-INTERACTION APPROACHES TO QUASIDEGENERACY","year":2006,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":8,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Waterloo","funders":"","keywords":"Complementarity (molecular biology); Degenerate energy levels; Coupled cluster; Exploit; Statistical physics; Electronic correlation; Physics; Type (biology); Configuration interaction; Computer science; Theoretical physics; Mathematics; Quantum mechanics; Electron; Molecule","authors":[{"name":"Josef Paldus","is_ca":true},{"name":"Xiangzhu Li","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02396789547488068,"gpt":0.2551039925644174,"spread":0.2311360970895367,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006897374,0.00133592,0.00153196,0.001238098,0.001780802,0.001697015,0.003525021,0.002207379,0.01098272],"category_scores_gemma":[0.0009388783,0.0005714083,0.001119445,0.001675422,0.003452961,0.002588506,0.00140338,0.003163338,0.001364233],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002253218,"about_ca_system_score_gemma":0.0009661553,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002265905,"about_ca_topic_score_gemma":0.003926852,"domain_scores_codex":[0.999567,0.0001476957,0.00001276153,0.00004036774,0.000183057,0.00004917776],"domain_scores_gemma":[0.9996712,0.0001261151,0.00001583466,0.0001029009,0.00005734423,0.0000266246],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000004401612,0.00001271154,0.00001089755,0.00002475311,0.000004480711,0.00001363304,0.00002539593,0.002651898,0.0001560371,0.9926878,0.001793329,0.002614726],"study_design_scores_gemma":[0.00000397349,0.000003338167,0.00002910939,0.000005082297,0.000001827965,0.00001272235,0.000006205056,0.02086335,0.00007905782,0.9759519,0.003038353,0.000005068893],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.05716002,0.02563264,0.4663657,0.00794585,0.006341181,0.0001597827,0.0003732051,0.0008084546,0.4352132],"genre_scores_gemma":[0.5695223,0.01559583,0.1759852,0.001832865,0.003439923,0.0005804995,0.0005136284,0.0008356746,0.2316941],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01098272,"threshold_uncertainty_score":0.03674084,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W32893513","doi":"10.1007/978-94-007-5297-9_8","title":"Systematics and Prediction in Franck-Condon Factors","year":2012,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of Victoria","funders":"","keywords":"Atomic physics; Diatomic molecule; Series (stratigraphy); Atom (system on chip); Chemistry; MAGIC (telescope); Molecule; Physics; Quantum mechanics","authors":[{"name":"Ray Hefferlin","is_ca":false},{"name":"Jonathan Sackett","is_ca":false},{"name":"J. B. Tatum","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01114808464990607,"gpt":0.2347471738292766,"spread":0.2235990891793705,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.01274025,0.003792942,0.00277819,0.00586227,0.003389448,0.003076948,0.00752775,0.002707819,0.005889799],"category_scores_gemma":[0.02725289,0.002320031,0.002510712,0.005676375,0.005241601,0.008408246,0.00322374,0.004117816,0.001589093],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.004357516,"about_ca_system_score_gemma":0.003112418,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009247134,"about_ca_topic_score_gemma":0.008409338,"domain_scores_codex":[0.9928838,0.002759571,0.0002631691,0.001132005,0.002417998,0.0005435412],"domain_scores_gemma":[0.9851892,0.007820145,0.0008593381,0.004333871,0.001494787,0.0003026858],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001072861,0.00005190313,0.0008139134,0.0003937292,0.00008147828,0.00008025357,0.0002056942,0.01267414,0.0006848689,0.9444971,0.01030724,0.03010234],"study_design_scores_gemma":[0.00005555453,0.00002501201,0.001315986,0.000193069,0.00005317537,0.00009417576,0.00002720982,0.07274923,0.002876632,0.9148545,0.007644018,0.0001114572],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1365698,0.04699005,0.5836053,0.009386204,0.005627993,0.0004347175,0.00398849,0.01386886,0.1995284],"genre_scores_gemma":[0.7892894,0.01325002,0.1571499,0.001964956,0.002351163,0.0008569161,0.002340154,0.004779758,0.02801788],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01274025,"threshold_uncertainty_score":0.06737769,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2280271160","doi":"10.1007/978-94-007-2076-3_32","title":"A Review of Bonding in Dendrimers and Nano-Tubes","year":2011,"lang":"en","type":"review","venue":"Progress in theoretical chemistry and physics","topic":"Dendrimers and Hyperbranched Polymers","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"McGill University","funders":"","keywords":"Materials science; Tacticity; Dendrimer; Polymer; Density functional theory; van der Waals force; Polymer chemistry; Stacking; Crystallography; Computational chemistry; Molecule; Chemistry; Polymerization; Composite material; Organic chemistry","authors":[{"name":"M. A. Whitehead","is_ca":true},{"name":"Ashok Kakkar","is_ca":true},{"name":"Theo van de Ven","is_ca":true},{"name":"Rami Hourani","is_ca":false},{"name":"Elizabeth Ladd","is_ca":true},{"name":"Ye Tian","is_ca":true},{"name":"Tom Lazzara","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02300972591340011,"gpt":0.3126367196849347,"spread":0.2896269937715346,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005123373,0.001000631,0.001376289,0.001956905,0.0004827402,0.0008903344,0.00113239,0.00114654,0.002649138],"category_scores_gemma":[0.0005833716,0.0004735949,0.0004048229,0.002909233,0.0007276779,0.001788058,0.0007132516,0.001513277,0.001743132],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007804627,"about_ca_system_score_gemma":0.001113133,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008569938,"about_ca_topic_score_gemma":0.001849087,"domain_scores_codex":[0.9998029,0.00003043909,0.00003596006,0.00004272367,0.00006849566,0.00001941164],"domain_scores_gemma":[0.9997755,0.0001116234,0.00003010407,0.000009402052,0.0000541661,0.00001926677],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00007203888,0.0001514718,0.0001533129,0.03427994,0.0001046419,0.0002738441,0.0001204858,0.0008136799,0.008039373,0.01743211,0.0608357,0.8777234],"study_design_scores_gemma":[0.000008926171,0.00006094006,0.0002531229,0.002110836,0.00003879741,0.0005203994,0.00003572318,0.00009911699,0.001183736,0.002470034,0.9931998,0.00001852812],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.0001411211,0.9980671,0.0002889732,0.0001396739,0.0003843228,0.000005280891,0.00001509145,0.000005116507,0.0009533981],"genre_scores_gemma":[0.0006736603,0.9973713,0.0004589986,0.0001727986,0.0002887129,0.00000999597,0.00002260266,0.000001811023,0.001000017],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.002649138,"threshold_uncertainty_score":0.008862197,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W6623671","doi":"10.1007/978-94-007-2076-3_18","title":"A Survey on Reptation Quantum Monte Carlo","year":2011,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Quantum, superfluid, helium dynamics","field":"Physics and Astronomy","cited_by":2,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Brock University","funders":"","keywords":"Reptation; Monte Carlo method; Quantum Monte Carlo; Statistical physics; Monte Carlo method in statistical physics; Monte Carlo molecular modeling; Hybrid Monte Carlo; Context (archaeology); Dynamic Monte Carlo method; Diffusion Monte Carlo; Computer science; Markov chain Monte Carlo; Physics; Mathematics; Statistics","authors":[{"name":"Wai Kong Yuen","is_ca":true},{"name":"Stuart M. Rothstein","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01524507287204278,"gpt":0.246431084227195,"spread":0.2311860113551522,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.002669297,0.001088687,0.002530614,0.003372316,0.0008736865,0.002832382,0.002460998,0.002041819,0.01237552],"category_scores_gemma":[0.009448706,0.001262944,0.0008474329,0.009666135,0.002001275,0.005126574,0.001577879,0.002861697,0.003446636],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001916034,"about_ca_system_score_gemma":0.00236686,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003838512,"about_ca_topic_score_gemma":0.00334417,"domain_scores_codex":[0.997928,0.0006902744,0.0001197274,0.0002079448,0.0009398687,0.0001141719],"domain_scores_gemma":[0.9942708,0.004138703,0.0001117304,0.0005795546,0.0007748148,0.0001244022],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00005750525,0.0001195289,0.000364736,0.001305731,0.00005603146,0.00004272591,0.0000859542,0.04140917,0.0003237702,0.6105335,0.03161487,0.3140865],"study_design_scores_gemma":[0.00003344205,0.00004686307,0.0003218474,0.0006922321,0.00003680079,0.0001682096,0.0000242617,0.1231817,0.0007633927,0.6361774,0.2384965,0.00005749592],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.005333401,0.4075529,0.4713999,0.004200213,0.002525892,0.0001561689,0.0008891185,0.00145287,0.1064895],"genre_scores_gemma":[0.1086887,0.5762748,0.2574913,0.003752374,0.008278532,0.0005845696,0.002345937,0.002080015,0.04050374],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01237552,"threshold_uncertainty_score":0.04140019,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4413383887","doi":"10.1007/978-3-031-85167-4_10","title":"Towards ML- and QML-Accelerated Discovery of Catalytic Materials and Mechanisms—A Progress Review","year":2025,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":1,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"National Research Council Canada; University of Lethbridge; University of Calgary","funders":"","keywords":"Materials science; Computer science; Psychology","authors":[{"name":"Dennis R. Salahub","is_ca":true},{"name":"Lizandra Barrios-Herrera","is_ca":true},{"name":"Mosayeb Naseri","is_ca":true},{"name":"Sankha Ghosh","is_ca":true},{"name":"Hatef Shahmohamadi","is_ca":true},{"name":"Christoph Simon","is_ca":true},{"name":"Hadi Zadeh‐Haghighi","is_ca":true},{"name":"Daya Gour","is_ca":true},{"name":"Colin Bellinger","is_ca":true},{"name":"Sergey Gusarov","is_ca":true},{"name":"Jiří Hostaš","is_ca":true},{"name":"Alain Tchagang","is_ca":true},{"name":"Patrizia Calaminici","is_ca":false},{"name":"Andreas M. Köster","is_ca":false},{"name":"Maicon Pierre Lourenço","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01048979136424242,"gpt":0.2743338152824694,"spread":0.2638440239182269,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001429367,0.001019067,0.001323812,0.0009732984,0.0003367677,0.002676964,0.00212012,0.001410028,0.01062943],"category_scores_gemma":[0.0018171,0.0007248186,0.0006279716,0.001694614,0.001557034,0.004833651,0.002186144,0.004186842,0.007694562],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001020204,"about_ca_system_score_gemma":0.0009614396,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000373198,"about_ca_topic_score_gemma":0.0004848511,"domain_scores_codex":[0.9995567,0.00006707967,0.00002146282,0.00008982845,0.0002255693,0.00003938539],"domain_scores_gemma":[0.9991419,0.0005815935,0.00004459787,0.0000776654,0.0001113758,0.00004287341],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00009082715,0.0001355155,0.0001530251,0.00737742,0.00008373648,0.0001033361,0.0001125421,0.005520871,0.01644679,0.1754867,0.05584706,0.7386422],"study_design_scores_gemma":[0.00003076356,0.0001169639,0.0002101279,0.0007490738,0.0000437471,0.0003404256,0.00004297442,0.01227914,0.01875099,0.1063713,0.8610132,0.00005123513],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.002220286,0.8581444,0.09031954,0.004912611,0.002435786,0.00004426415,0.0003036556,0.001249498,0.04036996],"genre_scores_gemma":[0.03019246,0.8495868,0.08389963,0.003049901,0.004439676,0.0001210861,0.000851988,0.0007166211,0.02714172],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.01062943,"threshold_uncertainty_score":0.03555906,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W1655343241","doi":"10.1007/978-1-4020-8707-3_22","title":"SU(m(≤ 4)) × l20 ↓ A5 Group Branching Rules Revisited: Inverse Polyhedral Combinatorial Modelling via (λ) to {< λ′ >} ⊵ λSASST Maps","year":2008,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":1,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Queen's University","funders":"","keywords":"Group (periodic table); Pure mathematics; Combinatorics; Mathematics; Physics; Quantum mechanics","authors":[{"name":"F.P. Temme","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.008615987498104319,"gpt":0.2292918674230756,"spread":0.2206758799249713,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004677316,0.0006583491,0.0005575338,0.0007881821,0.001433815,0.003105275,0.001393768,0.001118399,0.009939937],"category_scores_gemma":[0.0006597321,0.0004485441,0.0009361914,0.000845216,0.002978268,0.002961291,0.0007594773,0.003436412,0.002007545],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001447036,"about_ca_system_score_gemma":0.00063139,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002137929,"about_ca_topic_score_gemma":0.001957928,"domain_scores_codex":[0.999761,0.00005920642,0.00001044663,0.00004429715,0.0000916944,0.00003334648],"domain_scores_gemma":[0.9997329,0.0001037209,0.00002329522,0.00006979618,0.00003405584,0.00003624467],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000003409911,0.000004915651,0.000009049608,0.000005928649,8.757594e-7,0.00001401369,0.00006400737,0.0002858594,0.000228149,0.9960796,0.0006577414,0.002646481],"study_design_scores_gemma":[0.000004292473,0.000004116453,0.00002493537,0.000005940046,0.000001262644,0.00003473637,0.00002597635,0.00219789,0.0003065899,0.9905613,0.006828516,0.000004415921],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.08551633,0.001649084,0.2071786,0.002406917,0.0007220785,0.00008565083,0.0002510295,0.0007109601,0.7014794],"genre_scores_gemma":[0.6948211,0.001606073,0.1043108,0.000837738,0.0004825741,0.000188806,0.0003902544,0.0007318158,0.1966308],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.009939937,"threshold_uncertainty_score":0.03325242,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2615703228","doi":"10.1007/978-3-319-50255-7_4","title":"Population Analyses Based on Ionic Partition of Overlap Distributions","year":2017,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"History and advancements in chemistry","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"","keywords":"Ionic bonding; Partition (number theory); Population; Statistical physics; Mulliken population analysis; Simplicity; Partition coefficient; Set (abstract data type); Thermodynamics; Computer science; Mathematics; Materials science; Computational chemistry; Chemistry; Physics; Density functional theory; Ion; Combinatorics; Quantum mechanics; Demography","authors":[{"name":"Yakun Chen","is_ca":true},{"name":"Yan Alexander Wang","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.02698513769306935,"gpt":0.3219662929596403,"spread":0.2949811552665709,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009488098,0.0004169326,0.0003875603,0.001518385,0.0005802136,0.0010226,0.001267874,0.0004748043,0.003703377],"category_scores_gemma":[0.002928725,0.0002177972,0.000621967,0.0009260587,0.0007455344,0.0015382,0.001200671,0.0007514181,0.0005955765],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000503758,"about_ca_system_score_gemma":0.0002426105,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008989645,"about_ca_topic_score_gemma":0.000797659,"domain_scores_codex":[0.9996985,0.00007913553,0.00001351054,0.00007614949,0.0000888261,0.00004402985],"domain_scores_gemma":[0.9990383,0.000552772,0.0001008454,0.0001323086,0.0001306914,0.00004513009],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0008958636,0.0003112105,0.01589271,0.000369105,0.0004405364,0.0002653193,0.0011703,0.2071647,0.1567042,0.4989674,0.007838543,0.10998],"study_design_scores_gemma":[0.00001978412,0.00006914146,0.005161606,0.00002330116,0.0000685892,0.0002028637,0.0002338651,0.8544944,0.03004489,0.1050908,0.004510557,0.0000802916],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4215448,0.0007934873,0.5535915,0.0002274869,0.00008884453,0.0000876954,0.0007367786,0.001324152,0.02160529],"genre_scores_gemma":[0.938026,0.0004465836,0.05386745,0.0001153488,0.00005828958,0.0001422286,0.001084319,0.0005415972,0.005718201],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003703377,"threshold_uncertainty_score":0.01238906,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4399257537","doi":"10.1007/978-3-031-52078-5_4","title":"General Linear-Expansion Shooting Techniques Based on Minimization of Intra-Iteration Errors","year":2024,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Optical Systems and Laser Technology","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"","keywords":"Minification; Trouble shooting; Computer science; Mathematical optimization; Algorithm; Shooting method; Mathematics; Applied mathematics; Mathematical analysis; Engineering; Reliability engineering","authors":[{"name":"Miguel Angel Garcia-Chavez","is_ca":true},{"name":"A. A. Yakovlev","is_ca":false},{"name":"Yakun Chen","is_ca":true},{"name":"Yan Alexander Wang","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.0055531218201732,"gpt":0.2238044151780582,"spread":0.218251293357885,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006161738,0.001557001,0.001293084,0.0006093775,0.0004259256,0.001046891,0.001965832,0.001390565,0.01171126],"category_scores_gemma":[0.001415569,0.0007009575,0.00101019,0.0008939966,0.00113887,0.001329415,0.001549395,0.003327178,0.004144631],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005060175,"about_ca_system_score_gemma":0.0005643576,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009406396,"about_ca_topic_score_gemma":0.001958865,"domain_scores_codex":[0.9995339,0.00009416167,0.00001963418,0.00007398126,0.0002527329,0.00002564201],"domain_scores_gemma":[0.9995933,0.0001823191,0.0000323397,0.00008970289,0.00008273225,0.00001965341],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001560199,0.0001146902,0.0001849184,0.0007652777,0.00009897396,0.0001086442,0.0003624546,0.3170013,0.04443394,0.2058553,0.01384541,0.4170731],"study_design_scores_gemma":[0.00002086965,0.00004648141,0.0001127929,0.00005119977,0.00001537984,0.0001300389,0.00002486315,0.9258775,0.01060947,0.0413465,0.02173659,0.00002838221],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.001076068,0.0002455856,0.9929724,0.00003266353,0.00005584078,0.00002053696,0.00003174723,0.0003300136,0.005235122],"genre_scores_gemma":[0.02712159,0.0004722692,0.9518636,0.0000601355,0.0000614564,0.0001154255,0.0001669002,0.0009355029,0.01920304],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01171126,"threshold_uncertainty_score":0.03917807,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2199352453","doi":"10.1007/0-306-46951-0_18","title":"Large Amplitude Motions in Electronically Excited States: A Study of the S1 Excited State of Formic Acid","year":2001,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Brock University","funders":"","keywords":"Excited state; Atomic physics; Chemistry; Ab initio; Excitation; Molecular physics; Physics; Quantum mechanics","authors":[{"name":"Leanne M. Beaty-Travis","is_ca":true},{"name":"D. C. Moule","is_ca":true},{"name":"Camelia Muñoz‐Caro","is_ca":false},{"name":"Alfonso Niño","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.007140581106889032,"gpt":0.2566251155834328,"spread":0.2494845344765438,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000090289,0.000180143,0.0002298203,0.0002758316,0.0004594375,0.000302892,0.0005381046,0.0003850666,0.002438798],"category_scores_gemma":[0.0001824384,0.0001615201,0.0001623424,0.0005252695,0.0002954592,0.0003487675,0.0002237084,0.0002948497,0.0001694802],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001908112,"about_ca_system_score_gemma":0.0000876499,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001259126,"about_ca_topic_score_gemma":0.001026732,"domain_scores_codex":[0.9999706,0.000005323589,9.427228e-7,0.000006299914,0.000008751002,0.000008191834],"domain_scores_gemma":[0.9999356,0.00004186378,0.000007095646,0.000004295178,0.000004342366,0.000006766814],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001284463,0.0004482638,0.007726606,0.0005823041,0.0001090869,0.002616983,0.001349125,0.05835349,0.8234709,0.0276651,0.002538057,0.07385568],"study_design_scores_gemma":[0.0003771576,0.002651083,0.1121329,0.0001022,0.0001201981,0.002228371,0.0022204,0.4604565,0.3744896,0.02650777,0.01858778,0.0001261515],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9886456,0.002126358,0.002456026,0.0001266155,0.00001239989,0.000008649502,0.00004128919,0.00003522821,0.006547841],"genre_scores_gemma":[0.9949827,0.001379134,0.001083006,0.00002654875,0.00001302728,0.000006665802,0.0000931123,0.00001420694,0.002401489],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002438798,"threshold_uncertainty_score":0.008158565,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W2805018975","doi":"10.1007/978-3-319-74582-4_18","title":"Functional Derivatives and Differentiability in Density-Functional Theory","year":2018,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"University of British Columbia","funders":"","keywords":"Differentiable function; Domain (mathematical analysis); Density functional theory; Derivative (finance); Space (punctuation); Mathematics; Path (computing); Class (philosophy); Functional derivative; Functional theory; Variation (astronomy); Pure mathematics; Mathematical analysis; Computational chemistry; Computer science; Physics; Chemistry; Artificial intelligence","authors":[{"name":"Ping Xiang","is_ca":true},{"name":"Yan Alexander Wang","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.009969261239647339,"gpt":0.2357356135158209,"spread":0.2257663522761736,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001111983,0.001106077,0.001085186,0.001206703,0.0004934827,0.001706021,0.001128318,0.001215494,0.005685745],"category_scores_gemma":[0.001862965,0.0004975833,0.0005278694,0.001580546,0.003120489,0.003755938,0.001171321,0.003320543,0.001881701],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001249108,"about_ca_system_score_gemma":0.0006038535,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008718029,"about_ca_topic_score_gemma":0.0006164996,"domain_scores_codex":[0.9995815,0.0001248679,0.0000232645,0.00004863163,0.0001964241,0.00002535545],"domain_scores_gemma":[0.9994906,0.0003374772,0.0000177108,0.00005667509,0.00007582245,0.0000216937],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000003408751,0.000009220266,0.00001236484,0.00008153484,0.00000405357,0.0000149658,0.00003556352,0.002117622,0.0001916673,0.9729322,0.00630136,0.01829615],"study_design_scores_gemma":[0.0000024482,0.000005077323,0.00003577991,0.00003747583,0.000002907204,0.00003936128,0.000008417788,0.008679847,0.0001897636,0.9667343,0.02425548,0.000009006523],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.0135703,0.1126939,0.4847415,0.009271389,0.005885566,0.00003837957,0.0003530149,0.0007014058,0.3727444],"genre_scores_gemma":[0.3822933,0.09515189,0.1669615,0.003604652,0.008102431,0.0002196475,0.0006844855,0.001663138,0.341319],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.005685745,"threshold_uncertainty_score":0.01902074,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4399257525","doi":"10.1007/978-3-031-52078-5_11","title":"Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations","year":2024,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Ontario Tech University","funders":"","keywords":"Counterion; Polarity (international relations); Field (mathematics); Chemical physics; Molecule; Materials science; Chemistry; Ion; Mathematics; Organic chemistry; Pure mathematics","authors":[{"name":"Fedor Y. Naumkin","is_ca":true},{"name":"Mason Sullivan","is_ca":true},{"name":"David J. Wales","is_ca":false}],"retraction":null,"screen_n_in":null,"score":{"opus":0.01456723063775355,"gpt":0.2557220890028076,"spread":0.2411548583650541,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001101225,0.0004725216,0.0003562477,0.0001762847,0.0002688497,0.001004674,0.0006532556,0.000365715,0.00490377],"category_scores_gemma":[0.0001701697,0.0002048377,0.0001527086,0.0002281377,0.000386621,0.001069268,0.0004881123,0.00102439,0.001532897],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000413515,"about_ca_system_score_gemma":0.0001325111,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002323474,"about_ca_topic_score_gemma":0.0003548018,"domain_scores_codex":[0.9999261,0.000008193861,0.000002873544,0.00002057935,0.0000273934,0.00001483032],"domain_scores_gemma":[0.9999666,0.00001471037,0.000004247663,0.00000534236,0.000004199269,0.000004843212],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0002852743,0.0001283841,0.0001113796,0.001138445,0.00003491063,0.0003415547,0.0004896229,0.001027058,0.7320239,0.1653139,0.01630808,0.08279752],"study_design_scores_gemma":[0.00004363282,0.0003289709,0.00031087,0.00008242111,0.00002820264,0.0007732316,0.00007382179,0.002275634,0.7167184,0.01761984,0.2617033,0.00004163448],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.3829278,0.0887054,0.04540285,0.002211621,0.002033756,0.0001852128,0.0004463336,0.001035866,0.4770512],"genre_scores_gemma":[0.7075645,0.03010906,0.01086755,0.001142693,0.0003470463,0.0001997053,0.0004811201,0.0004961292,0.2487922],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.00490377,"threshold_uncertainty_score":0.01640475,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null},{"id":"W4413368978","doi":"10.1007/978-3-031-85167-4_4","title":"Hypotheses on Many-Body Quantum Effects in Photosynthesis","year":2025,"lang":"en","type":"book-chapter","venue":"Progress in theoretical chemistry and physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":0,"is_retracted":false,"has_abstract":false,"routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false},"ca_institutions":"Perimeter Institute","funders":"","keywords":"Photosynthesis; Quantum; Environmental science; Biology; Physics; Botany; Quantum mechanics","authors":[{"name":"G. Baskaran","is_ca":true}],"retraction":null,"screen_n_in":null,"score":{"opus":0.006373125631601609,"gpt":0.247145598284225,"spread":0.2407724726526234,"validation_status":"score_only:v0-immature-baseline"},"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00129568,0.0005711825,0.0005636181,0.0007014367,0.0008143519,0.001412904,0.002022118,0.002147635,0.0111824],"category_scores_gemma":[0.001978112,0.0003163057,0.0006086981,0.0004936005,0.005274505,0.004526598,0.0008304727,0.002561626,0.00209802],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009092423,"about_ca_system_score_gemma":0.0004353734,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002409503,"about_ca_topic_score_gemma":0.00019411,"domain_scores_codex":[0.9997546,0.00007953114,0.00001134567,0.0000457364,0.0000823033,0.00002647656],"domain_scores_gemma":[0.9986988,0.00101245,0.00004974734,0.0001150807,0.00007889499,0.00004486863],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000005091717,0.000008680156,0.00002719959,0.00002371508,0.000002093915,0.00002410906,0.00004386064,0.0004703086,0.000196684,0.9959099,0.001441983,0.001846365],"study_design_scores_gemma":[0.000003988135,0.000004690271,0.00006636764,0.000007273758,0.000001374354,0.00002464396,0.00001249982,0.0007565842,0.0001299187,0.9958424,0.003147219,0.000002874171],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.05760299,0.01332352,0.1935378,0.03935992,0.005769315,0.0001339621,0.0005590961,0.000467452,0.689246],"genre_scores_gemma":[0.7790784,0.01101946,0.03664546,0.007891551,0.00646794,0.0004906357,0.0006857089,0.0001844851,0.1575362],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.0111824,"threshold_uncertainty_score":0.03740883,"prediction_status":"machine_predicted_unvalidated"},"labels":[],"label_agreement":null}]}