{"id":"W6939057141","doi":"10.60692/dhx32-jw064","title":"3-{(E)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea: crystal structure and Hirshfeld surface analysis","year":2018,"lang":"en","type":"article","venue":"Greater South Information System","topic":"Crystal structures of chemical compounds","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"St. Francis Xavier University","funders":"","keywords":"Hydrogen bond; Dihedral angle; Moiety; Amine gas treating; Crystal structure; Imine; Benzene; Crystal (programming language)","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":[0.00006959533,0.0002520377,0.0003048739,0.0001345982,0.0001113511,0.000327888,0.0005644288,0.0002622126,0.002285301],"category_scores_gemma":[0.00007744618,0.0001421015,0.00008491107,0.0002921896,0.0001826677,0.0001334579,0.0001177476,0.0002386183,0.0007095385],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002815703,"about_ca_system_score_gemma":0.0002568049,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002410004,"about_ca_topic_score_gemma":0.002771962,"domain_scores_codex":[0.9999446,0.000007222851,0.000001973473,0.00001383136,0.00001939516,0.0000129096],"domain_scores_gemma":[0.9999807,0.000002330145,0.000007118632,8.259368e-7,0.000001861991,0.000007082458],"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":[0.0006633767,0.0001977451,0.001151602,0.0005644402,0.00004131733,0.0006119671,0.00007320595,0.002523477,0.958,0.001784214,0.002320585,0.03206804],"study_design_scores_gemma":[0.001619169,0.003007469,0.02522815,0.0001192004,0.0002077549,0.002937819,0.0003598693,0.0409696,0.8004006,0.0008179094,0.1242289,0.0001035417],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9763651,0.007981892,0.00441506,0.0002405068,0.00006839059,0.0001059212,0.0008118351,0.000462354,0.009548728],"genre_scores_gemma":[0.981101,0.003852183,0.007260552,0.0001350931,0.00003725501,0.00005358391,0.001077376,0.0000323926,0.006450516],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002410004,"threshold_uncertainty_score":0.007645071,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01347047516645712,"score_gpt":0.212930434743152,"score_spread":0.1994599595766949,"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."}}