{"id":"W1994132475","doi":"10.1021/cg700798z","title":"Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6′,6′′-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","year":2008,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"","keywords":"Hydrogen bond; Molecule; Chemistry; Alkyl; Intermolecular force; Crystal engineering; Phenylene; Aryl; Triazine; Crystallography; Group (periodic table); Stereochemistry; Polymer chemistry; Polymer; 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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002195611,0.000733671,0.0008550577,0.0004382662,0.0002618922,0.00006015652,0.0007116754,0.0004194266,0.0007409201],"category_scores_gemma":[0.0008461547,0.0008070613,0.0006520528,0.0008835826,0.00032215,0.0004079582,0.000172602,0.0004955409,0.00001453166],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009463941,"about_ca_system_score_gemma":0.000196468,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002124566,"about_ca_topic_score_gemma":0.000008005396,"domain_scores_codex":[0.9964824,0.0001456561,0.001038153,0.0009190682,0.0006704883,0.0007442004],"domain_scores_gemma":[0.9971948,0.0006699535,0.0004462078,0.0009298045,0.0003968144,0.0003624251],"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":[0.0002933923,0.0003200665,0.0004187236,0.0001516719,0.000637978,0.0004071451,0.0004540893,0.002189034,0.9943355,0.0003442477,0.0003533779,0.00009478338],"study_design_scores_gemma":[0.001600534,0.00005981035,0.0007633422,0.0002300565,0.0002168337,0.0001462563,0.0001566814,0.001121597,0.9918239,0.0005990278,0.002430056,0.0008519479],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8665404,0.002118659,0.1288005,0.00005474317,0.0001849318,0.0003318547,0.0003262998,0.0003848468,0.001257786],"genre_scores_gemma":[0.9853516,0.0002468646,0.01340368,0.00005269373,0.000204204,0.0001289101,0.0003016751,0.0001443212,0.000166084],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1188112,"threshold_uncertainty_score":0.999438,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02224964303260245,"score_gpt":0.226433770448889,"score_spread":0.2041841274162865,"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."}}