{"id":"W4317780960","doi":"10.1002/asia.202201221","title":"Anticooperativity and Competition in Some Cocrystals Featuring Iodine‐Nitrogen Halogen Bonds","year":2023,"lang":"en","type":"article","venue":"Chemistry - An Asian Journal","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Halogen; Halogen bond; Iodine; Competition (biology); Nitrogen; Chemistry; Organic chemistry; Biology","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001769484,0.0001942318,0.0002131809,0.00009955055,0.0002620571,0.000216148,0.0001606195,0.0001418313,0.0005153061],"category_scores_gemma":[0.00006286107,0.000207503,0.000088239,0.0002593161,0.00009629681,0.0003167058,0.0000574745,0.0006093131,0.000006596176],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005938481,"about_ca_system_score_gemma":0.00006401553,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004115183,"about_ca_topic_score_gemma":0.000009136617,"domain_scores_codex":[0.9988858,0.00002777835,0.0002849527,0.0002769151,0.0001744017,0.0003501415],"domain_scores_gemma":[0.9993466,0.00002032559,0.0001065908,0.0002110126,0.00006463152,0.0002508193],"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":[0.00003019276,0.00008917309,0.004311661,0.0001020171,0.00004545647,0.0005888287,0.0003097288,0.00004078117,0.9934582,0.00005158984,0.0001780548,0.0007943939],"study_design_scores_gemma":[0.002714336,0.00006474174,0.00549531,0.0005704651,0.00008407298,0.007673931,0.006103605,0.0009738813,0.9653037,0.003735559,0.00638228,0.0008981208],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9935173,0.0001691291,0.0000438998,0.0004231856,0.0000572137,0.00003203273,0.00005833609,0.00008629958,0.005612646],"genre_scores_gemma":[0.9988956,0.00009697052,0.00009638988,0.00002927699,0.0003077963,0.000008058506,0.0001669658,0.00002495306,0.000373964],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02815443,"threshold_uncertainty_score":0.8461726,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01296843951667783,"score_gpt":0.255170265420665,"score_spread":0.2422018259039871,"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."}}