{"id":"W6884479360","doi":"10.1021/jp300029z.s001","title":"Using Systematic Comparisons\\nof 2D and 3D Structures\\nTo Reveal Principles of Molecular Organization. Tetraesters of Linear\\nBisisophthalic Acids","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Surface Chemistry and Catalysis","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal; Stantec (Canada)","funders":"","keywords":"Intermolecular force; Topology (electrical circuits); Network topology; Affinities; Tandem; Orientation (vector space)","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00003146571,0.0001315179,0.0003134216,0.00004395246,0.00002308357,0.00000996318,0.0001362412,0.00008564179,0.002064792],"category_scores_gemma":[0.0003743448,0.0001038734,0.00004033779,0.0002147732,0.00001258929,0.00007416527,0.00005059215,0.0000441314,0.000009065279],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003003823,"about_ca_system_score_gemma":0.00001690727,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000163882,"about_ca_topic_score_gemma":3.745503e-7,"domain_scores_codex":[0.9992804,0.00001855101,0.0003149835,0.000124487,0.0001482021,0.0001134014],"domain_scores_gemma":[0.9993819,0.00006872484,0.0001162984,0.0002663428,0.0001146081,0.00005210045],"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":[0.000005278424,0.0000217262,0.003768834,0.05104426,0.0003128587,0.0000121266,0.0003604886,0.0269444,0.9163737,0.00001144878,0.001103475,0.00004142066],"study_design_scores_gemma":[0.0002190416,0.000009898446,0.001494486,0.009137936,0.00008843447,0.00002615626,0.0001180201,0.00300878,0.9856579,0.000004649791,0.00004309142,0.000191658],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9831086,0.001341584,0.0005642478,0.000003820849,0.00002835896,0.0002072392,0.01447255,0.00008098213,0.0001926125],"genre_scores_gemma":[0.9978766,0.00000295582,0.0006733316,0.000002626286,0.00001170432,0.000006509778,0.001383943,0.00002739608,0.00001497255],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06928416,"threshold_uncertainty_score":0.9988475,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03708070999470218,"score_gpt":0.2407190297305207,"score_spread":0.2036383197358185,"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."}}