{"id":"W4403292934","doi":"10.1021/acs.cgd.4c01044","title":"Investigation of Supramolecular Self-Assembly in Sn(IV)-5,10,15,20-tetra(4-bromo-2,6-difluorophenyl) Porphyrins Mediated through Activated Sigma Hole","year":2024,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Science and Engineering Research Board","keywords":"Tetra; Supramolecular chemistry; Chemistry; Porphyrin; Crystallography; Self-assembly; Stereochemistry; Supramolecular assembly; Medicinal chemistry; Crystal structure; Photochemistry; 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":[0.000793797,0.0004844904,0.0005571843,0.0002031891,0.00009526754,0.0001853918,0.0005680312,0.0003468742,0.0006973937],"category_scores_gemma":[0.000266212,0.0004734478,0.0001582618,0.001272665,0.0002327691,0.0007405853,0.0001467478,0.0003725754,0.0001525144],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002113386,"about_ca_system_score_gemma":0.0005100963,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001770285,"about_ca_topic_score_gemma":0.000004258263,"domain_scores_codex":[0.996624,0.0003677274,0.0008034368,0.000855247,0.0006713841,0.0006782295],"domain_scores_gemma":[0.9984,0.0004345345,0.0002246628,0.0005124678,0.0001867854,0.0002415377],"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":[0.0001097287,0.0001133913,0.0002502147,0.0005353018,0.0000472539,0.0003296876,0.001048317,0.0001345254,0.9950172,0.0004279368,0.001954252,0.00003213238],"study_design_scores_gemma":[0.0007155729,0.0002155477,0.0005435781,0.0003226316,0.00005975607,0.00005201212,0.0001072879,0.001303046,0.9927437,0.002966916,0.0004719044,0.0004980565],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9886365,0.0006492271,0.006600213,0.0001877389,0.0003466453,0.0005138841,0.0001094432,0.0005051318,0.002451203],"genre_scores_gemma":[0.9943391,0.00004110044,0.004831914,0.00008733808,0.0001233834,0.00006980699,0.0001690201,0.00009200238,0.0002463537],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005702567,"threshold_uncertainty_score":0.9997717,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02314542516550052,"score_gpt":0.2374720271522026,"score_spread":0.2143266019867021,"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."}}