{"id":"W4398252839","doi":"10.1002/anie.202408053","title":"Utilizing “Latent” Carbon: Repositioning Hydrogen‐Bonded Synthons and Assemblies via Halogen Bonding to π‐Systems","year":2024,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"University of Birmingham; Leverhulme Trust; Natural Sciences and Engineering Research Council of Canada; McGill University; International Centre for Diffraction Data","keywords":"Synthon; Crystal engineering; Supramolecular chemistry; Hydrogen bond; Halogen bond; Amide; Molecule; Chemistry; Halogen; Crystal structure; Carbon fibers; Materials science; Combinatorial chemistry; Crystallography; Stereochemistry; Organic chemistry; Alkyl","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":[0.0001182043,0.0001916889,0.0001460781,0.000264646,0.0001508952,0.0003513119,0.0001261094,0.0001307224,0.0001969427],"category_scores_gemma":[0.00007818397,0.0002096696,0.000132648,0.0001931745,0.00004039509,0.0002927078,0.00008220173,0.0002331974,0.00000982877],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001773758,"about_ca_system_score_gemma":0.00002633228,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001978752,"about_ca_topic_score_gemma":0.00002559646,"domain_scores_codex":[0.998704,0.00001111308,0.0003107648,0.0004398659,0.0003206212,0.0002136376],"domain_scores_gemma":[0.9994138,0.0001098286,0.00007327726,0.0001625908,0.0001205234,0.0001199191],"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":[0.0000190058,0.00003289736,0.0002120675,0.00008828995,0.0002386984,0.0001118945,0.0002936815,0.00005368963,0.9952224,0.001360297,0.00200831,0.00035872],"study_design_scores_gemma":[0.0001296556,0.00001409766,0.00004933142,0.0005841572,0.00007731663,0.00051327,0.0003671679,0.002097347,0.9588513,0.0004351703,0.0366485,0.0002327171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8583592,0.002375699,0.01055721,0.002655806,0.004602521,0.0002381068,0.0003402616,0.0007553718,0.1201158],"genre_scores_gemma":[0.9963248,0.00005010595,0.0001627685,0.00008385978,0.001191382,0.0001151522,0.00055679,0.00003418474,0.001480997],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1379655,"threshold_uncertainty_score":0.8550078,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.015398516182569,"score_gpt":0.2678652754966687,"score_spread":0.2524667593140997,"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."}}