{"id":"W4396799543","doi":"10.1107/s2053273323083924","title":"Supramolecular C—H...π and C—H...O interactions in a new synthon relevant to malaria pigment model systems","year":2023,"lang":"en","type":"article","venue":"Acta Crystallographica Section A Foundations and Advances","topic":"Dyeing and Modifying Textile Fibers","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Association of Canadian Archivists","funders":"","keywords":"Synthon; Supramolecular chemistry; Pigment; Malaria; Stereochemistry; Chemistry; Combinatorial chemistry; Biology; Crystal structure; Organic chemistry; Immunology","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001339258,0.0001517807,0.0001551999,0.0006803779,0.0001647226,0.0001639012,0.00005754262,0.00004652104,0.000005933188],"category_scores_gemma":[0.00004117153,0.0001610599,0.00003392656,0.0008340715,0.00004275967,0.0003797097,0.00003762684,0.000160764,0.000001359437],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004327557,"about_ca_system_score_gemma":0.00002247505,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001162473,"about_ca_topic_score_gemma":0.0004017888,"domain_scores_codex":[0.9991329,0.00002418171,0.0002295619,0.0002705845,0.0001117924,0.0002309589],"domain_scores_gemma":[0.9995811,0.00006990066,0.00002978015,0.0001528426,0.00002545472,0.0001409085],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00004004914,0.00006195082,0.001314111,0.0003296483,0.0001192771,0.0000139984,0.001837152,0.8274933,0.1490416,0.005290732,0.002782225,0.01167596],"study_design_scores_gemma":[0.0005367049,0.00008726696,0.004709749,0.0002896564,0.00004037586,0.00004924903,0.001154918,0.6566499,0.00002680825,0.002805051,0.3331831,0.000467272],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9273308,0.0006974096,0.06644917,0.001848985,0.001110138,0.0005823288,0.0000241403,0.0009362979,0.001020754],"genre_scores_gemma":[0.9956312,0.002083045,0.001749092,0.00002660197,0.00004961533,0.0000895738,0.00002743484,0.00002699941,0.0003164548],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3304009,"threshold_uncertainty_score":0.6567832,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01694879338559131,"score_gpt":0.2620848939621723,"score_spread":0.245136100576581,"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."}}