{"id":"W4400090780","doi":"10.1002/anie.202409963","title":"From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study","year":2024,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Agencia Estatal de Investigación; Science and Engineering Research Board; Ministerio de Ciencia e Innovación; Amity University","keywords":"Transition metal; Coordination complex; Chemistry; Metal; Non-covalent interactions; Inorganic chemistry; Computational chemistry; Nanotechnology; Materials science; Catalysis; Molecule; 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":[0.00006735887,0.0001275795,0.0001205131,0.00007260079,0.0002841097,0.000430505,0.0001869622,0.0002078139,0.0006613895],"category_scores_gemma":[0.00008130784,0.0000515328,0.00006766809,0.00007628405,0.0003592938,0.000270373,0.0003813359,0.0003400286,0.00013258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001589801,"about_ca_system_score_gemma":0.00008587142,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001689483,"about_ca_topic_score_gemma":0.0001459863,"domain_scores_codex":[0.9999566,0.00001195239,0.000001419573,0.000009881948,0.00000967842,0.00001045491],"domain_scores_gemma":[0.9999826,0.000005262403,0.00000309668,0.000003899275,0.000001558905,0.000003626941],"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":[0.0001963978,0.0001090208,0.001278394,0.0004680483,0.00003372282,0.004534228,0.001110365,0.003565229,0.8381743,0.1118261,0.001563836,0.03714025],"study_design_scores_gemma":[0.00004828248,0.0004760853,0.002881123,0.00005730668,0.0000348933,0.003670219,0.0007487299,0.01438312,0.8892644,0.02424132,0.06415945,0.00003518911],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9710595,0.00475132,0.008538793,0.0005724474,0.00004745771,0.00002513118,0.00002063407,0.00007225197,0.01491245],"genre_scores_gemma":[0.9954454,0.001006149,0.002026774,0.00003713681,0.000009520328,0.0000066644,0.000007111687,0.000006768142,0.001454478],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006613895,"threshold_uncertainty_score":0.002212584,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01298208798811042,"score_gpt":0.2934209119246388,"score_spread":0.2804388239365284,"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."}}