{"id":"W2088684390","doi":"10.1021/jp901233v","title":"Hydration Number, Topological Control, and Ion Selectivity","year":2009,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Analytical Chemistry and Chromatography","field":"Chemistry","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"National Institute of General Medical Sciences","keywords":"Selectivity; Solvation; Chemistry; Ion; Topology (electrical circuits); Ion channel; Coordination number; Binding site; Chemical physics; Mathematics; Biochemistry; Combinatorics","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":[0.0001832087,0.000160192,0.0002867688,0.000004989409,0.0001114491,0.00002822057,0.0002156038,0.0001087577,0.0002098489],"category_scores_gemma":[0.0001146295,0.0001007096,0.0001764279,0.0001042682,0.0001889916,0.0001049303,0.00001849935,0.0005205864,0.000003489849],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003294692,"about_ca_system_score_gemma":0.00002581564,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000138163,"about_ca_topic_score_gemma":6.760782e-8,"domain_scores_codex":[0.9991344,0.00002498603,0.0002538105,0.0001182982,0.0002770349,0.0001914875],"domain_scores_gemma":[0.9991497,0.00022362,0.0002258782,0.0001593516,0.00009570566,0.0001457194],"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":[0.0001849309,0.0002453275,0.0003336777,0.00003563359,0.00004749509,0.000009353374,0.00006619543,0.000024271,0.9979,0.0001753515,0.0001938299,0.0007838955],"study_design_scores_gemma":[0.0008336955,0.00007543811,0.0006990704,0.00003897246,0.0001797594,0.0003207726,0.00008862816,0.001750677,0.9849944,0.01055591,0.0002994111,0.000163347],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.982033,0.00008440678,0.000309133,0.0007647263,0.00000687862,0.00001436829,0.000003294474,0.00002088202,0.01676327],"genre_scores_gemma":[0.9988816,0.00002562154,0.00001698152,0.0001040003,0.000802481,4.552033e-7,0.000001760035,0.000005546303,0.0001615473],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01684856,"threshold_uncertainty_score":0.410682,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005201453431749292,"score_gpt":0.2362037915501261,"score_spread":0.2310023381183768,"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."}}