{"id":"W1466940853","doi":"10.1107/s1600536814023228","title":"Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","year":2014,"lang":"en","type":"article","venue":"Acta Crystallographica Section E Structure Reports Online","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Cape Breton University","funders":"","keywords":"Pyridinium; Hydrogen bond; Dihedral angle; Chemistry; Amine gas treating; Crystallography; Imine; Crystal structure; Crystal (programming language); Chloride; Molecule; Medicinal chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002359593,0.0003811958,0.0008647108,0.0002185417,0.0004019822,0.0006883751,0.00126241,0.0004987103,0.004199836],"category_scores_gemma":[0.0003757995,0.0002678107,0.0001047714,0.0005005484,0.00033756,0.0002277371,0.0001905088,0.0009582247,0.001082628],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001152799,"about_ca_system_score_gemma":0.001323516,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01146811,"about_ca_topic_score_gemma":0.007843289,"domain_scores_codex":[0.999809,0.0000169991,0.000006172036,0.00004723167,0.00009640675,0.00002417549],"domain_scores_gemma":[0.9998443,0.00003370763,0.00003388187,0.000005581753,0.00003389027,0.00004868076],"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":[0.004374523,0.0006245932,0.008968118,0.00209992,0.0003771767,0.001848964,0.0006648488,0.01381805,0.8482864,0.008525308,0.05475326,0.05565877],"study_design_scores_gemma":[0.008241517,0.004404468,0.1144769,0.0004269458,0.0006229549,0.004711351,0.001501298,0.1227228,0.4542811,0.00454083,0.2835868,0.0004831667],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9373456,0.01054812,0.004178434,0.001741301,0.0005826078,0.0001943381,0.011277,0.001441514,0.03269101],"genre_scores_gemma":[0.9569553,0.003337605,0.006035262,0.000555462,0.00009468089,0.0001469173,0.01579452,0.0001573519,0.01692291],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01146811,"threshold_uncertainty_score":0.02280271,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005659979378896593,"score_gpt":0.2263794764257716,"score_spread":0.220719497046875,"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."}}