{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000173209,0.0002914342,0.0001672623,0.0001330828,0.0001203062,0.0003708613,0.0003246744,0.0002576809,0.001148039],"category_scores_gemma":[0.0002595047,0.0001610275,0.0001175777,0.0001147733,0.0004308188,0.0004550248,0.0004628876,0.0004232561,0.0004026138],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002283586,"about_ca_system_score_gemma":0.0001841447,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002733459,"about_ca_topic_score_gemma":0.0006291134,"domain_scores_codex":[0.9998956,0.00001895646,0.000006930727,0.00002363303,0.00002738305,0.00002749308],"domain_scores_gemma":[0.9998591,0.00003243467,0.00003520777,0.0000366077,0.000009850341,0.00002679437],"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":[0.00008858388,0.00005405876,0.0002100837,0.0001114311,0.00001087096,0.0002074572,0.0001055009,0.001682848,0.9806924,0.007305502,0.0003837173,0.009147441],"study_design_scores_gemma":[0.00002135117,0.0002262525,0.0003460047,0.000005138756,0.000005598307,0.00008954327,0.00002835744,0.004465187,0.9892643,0.0006876763,0.004843326,0.00001732857],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9653031,0.0008104217,0.02572888,0.000190964,0.00008584189,0.00004600411,0.00008091926,0.0005356892,0.007218138],"genre_scores_gemma":[0.9908483,0.0004236013,0.006864131,0.00007579741,0.0000157418,0.00002987732,0.00006600024,0.00005526083,0.001621253],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001148039,"threshold_uncertainty_score":0.003840566,"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."}}