{"id":"W2023565679","doi":"10.1002/(sici)1521-3765(20000317)6:6<999::aid-chem999>3.0.co;2-y","title":"Highly Organized Spherical Hosts That Bind Organic Guests in Aqueous Solution with Micromolar Affinity: Microcalorimetry Studies","year":2000,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"American Chemical Society Petroleum Research Fund; University of Toledo; McMaster University","keywords":"Isothermal microcalorimetry; Chemistry; Aqueous solution; Enthalpy; Ferrocene; Stability constants of complexes; Crystallography; Nuclear magnetic resonance spectroscopy; Stereochemistry; Binding constant; Host–guest chemistry; Binding site; Physical chemistry; Supramolecular chemistry; Crystal structure; Thermodynamics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002103004,0.0002940037,0.0002852343,0.00005118021,0.0001618493,0.0001087738,0.0002368375,0.00006752559,0.0008695414],"category_scores_gemma":[0.00003798803,0.0002482458,0.00006793267,0.0003979809,0.00008214128,0.0001029671,0.00003897609,0.000715254,0.0001067594],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001821881,"about_ca_system_score_gemma":0.00004560777,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000174535,"about_ca_topic_score_gemma":0.000003256655,"domain_scores_codex":[0.9987639,0.0001015412,0.0003183292,0.0002404533,0.0001955721,0.0003801867],"domain_scores_gemma":[0.9994458,0.00002089862,0.00006608099,0.0002372966,0.00006416804,0.0001657824],"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":[0.00007359045,0.00004406739,0.0005362022,0.00006320315,0.0001374165,0.001719753,0.0002582947,0.0002797018,0.9870505,1.048679e-7,0.002688244,0.007148909],"study_design_scores_gemma":[0.003691557,0.0001530564,0.006032452,0.0003771888,0.0001368229,0.009575176,0.000406729,0.0003244108,0.9528663,0.00001936356,0.02548037,0.000936625],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9929078,0.004967963,0.0004970558,0.00005557267,0.0001719711,0.00006253274,0.000004152118,0.0001296915,0.001203317],"genre_scores_gemma":[0.9962395,0.0009701098,0.001914318,0.0000488016,0.0002970584,9.671645e-7,0.00001016952,0.000101776,0.0004172375],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03418426,"threshold_uncertainty_score":0.999997,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008516362051467755,"score_gpt":0.1892337833720956,"score_spread":0.1807174213206278,"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."}}