{"id":"W2949689352","doi":"10.1002/chin.201328236","title":"ChemInform Abstract: Halogen Bonding in Solution: Thermodynamics and Applications","year":2013,"lang":"en","type":"article","venue":"ChemInform","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Halogen; Halogen bond; Thermodynamics; Computational 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00004131686,0.0001399551,0.0001156752,0.00007264895,0.00009075654,0.00006500099,0.0001358832,0.0001418133,0.001952552],"category_scores_gemma":[0.00001559349,0.000144625,0.00006934593,0.0001322258,0.00007633982,0.0002863651,0.00006508131,0.000215433,0.00003726915],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008269138,"about_ca_system_score_gemma":0.00002484665,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001253159,"about_ca_topic_score_gemma":0.00004540275,"domain_scores_codex":[0.999239,1.672933e-8,0.0002557224,0.0001640769,0.00009631983,0.0002448078],"domain_scores_gemma":[0.9994964,0.0000357354,0.00008468729,0.0002481846,0.00004358952,0.00009138005],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000009315559,0.0001005262,0.0004316419,0.0002329712,0.00005330607,0.000003530884,0.0006914582,4.743427e-7,0.2704675,0.006512797,0.004222895,0.7172736],"study_design_scores_gemma":[0.001139381,0.00001332974,0.004992338,0.0001602259,0.0000475714,0.0001665527,0.003324036,0.0004092858,0.3489387,0.003601241,0.6362993,0.0009080218],"study_design_candidate":"design_other","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.03169705,0.0001223016,0.00000520386,0.000118738,0.00001852544,0.000145144,0.00001590663,0.00006749584,0.9678096],"genre_scores_gemma":[0.984299,0.00004501054,0.00004498032,0.00006991312,0.00006442235,0.0003665132,0.000139436,0.00001422016,0.01495648],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.9528531,"threshold_uncertainty_score":0.9989598,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00854202763083729,"score_gpt":0.2275870571684342,"score_spread":0.2190450295375969,"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."}}