{"id":"W4239311496","doi":"10.1002/anie.200353051","title":"Partitioning of Solvent Effects and Intrinsic Interactions in Biological Recognition","year":2004,"lang":"en","type":"article","venue":"Angewandte Chemie International Edition","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Intermolecular force; Solvent; Hydrogen bond; Divide and conquer algorithms; Enthalpy; Chemistry; Association (psychology); Solvent effects; Phase (matter); Computer science; Chemical physics; Thermodynamics; Molecule; Physics; Organic chemistry; Algorithm; Epistemology; Philosophy","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":[],"consensus_categories":[],"category_scores_codex":[0.00005939624,0.0001048212,0.0001309624,0.00007493817,0.00003328242,0.00001736817,0.00007300546,0.00007781861,0.0005276928],"category_scores_gemma":[0.000146587,0.0001044175,0.00007332105,0.0001044433,0.0001052323,0.0001787587,0.00003571684,0.0001740652,0.000007862616],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009228152,"about_ca_system_score_gemma":0.00001523114,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004120112,"about_ca_topic_score_gemma":0.00001340925,"domain_scores_codex":[0.9992764,0.00000511824,0.0002574425,0.0002001925,0.0001443318,0.0001164905],"domain_scores_gemma":[0.999589,0.0001022699,0.000105454,0.00007080602,0.00007954583,0.00005293594],"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":[0.0001021936,0.0004604928,0.01321378,0.0002200406,0.00009010608,0.00002789232,0.0001799564,0.00002346877,0.9826334,0.0009293811,0.0001983442,0.001920935],"study_design_scores_gemma":[0.0008026172,0.00001745628,0.002779345,0.0003908027,0.00001581751,0.00002617879,0.000123113,0.00001960416,0.9826172,0.01272364,0.0003733756,0.0001108284],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9879994,0.00007096682,0.001076657,0.0003166661,0.0001641245,0.00003599306,0.00004258505,0.00003879804,0.01025484],"genre_scores_gemma":[0.9986356,0.0001507346,0.0002615598,0.0000596663,0.000338079,0.00003651748,0.0004871514,0.000006373989,0.00002434835],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01179426,"threshold_uncertainty_score":0.5777867,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02211872587358419,"score_gpt":0.2665425470391047,"score_spread":0.2444238211655206,"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."}}