{"id":"W2129827816","doi":"10.5267/j.ccl.2013.08.001","title":"Mass spectroscopy of 3-arylpyrimido[4,5-c]pyridazine-5,7(6H,8H)-diones and 3-aryl-7-thioxo-7,8-dihydro-6H-pyrimido[4,5-c]pyridazine-5-ones: Dimers containing water cluster and quasi-covalent hydrogen bond","year":2013,"lang":"en","type":"article","venue":"Current Chemistry Letters","topic":"Phenothiazines and Benzothiazines Synthesis and Activities","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Urmia University","keywords":"Pyridazine; Chemistry; Aryl; Spectroscopy; Stereochemistry; Medicinal chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002485046,0.0007677873,0.0007767032,0.00009280749,0.0002417292,0.00016094,0.0003869396,0.0002857119,0.0001249908],"category_scores_gemma":[0.00006367327,0.0006209618,0.0002747328,0.000104441,0.0006027531,0.00007792209,0.0003708877,0.000362616,0.0000198828],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000442722,"about_ca_system_score_gemma":0.00005044179,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007400165,"about_ca_topic_score_gemma":0.000003787289,"domain_scores_codex":[0.9968053,0.00005880235,0.0007762674,0.001065735,0.0003993398,0.0008945952],"domain_scores_gemma":[0.998471,0.00006999215,0.0003240598,0.0006632474,0.0001437764,0.0003279133],"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":[0.0001838646,0.000177077,0.003146334,0.0005850235,0.0002027991,0.00000514382,0.0003240527,0.00002888541,0.9919329,0.00001005535,0.001979373,0.001424448],"study_design_scores_gemma":[0.001521721,0.0000844934,0.0005301606,0.0001976655,0.0001507893,0.00005500993,0.000509489,0.0003082422,0.9908711,0.0001058295,0.004813006,0.0008525157],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9910024,0.004870476,0.00047235,0.002294136,0.0003467104,0.000473313,0.00006755344,0.00005089551,0.0004222047],"genre_scores_gemma":[0.9964148,0.001362383,0.0003816189,0.0004352999,0.0008362978,0.000114644,0.0002778677,0.00009636681,0.0000806983],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005412464,"threshold_uncertainty_score":0.9996242,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00813796289591724,"score_gpt":0.2200067611561313,"score_spread":0.2118687982602141,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}