{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002669819,0.0001541072,0.000190495,0.0005128759,0.0003101607,0.0007165106,0.0002997792,0.0002356248,0.0009368262],"category_scores_gemma":[0.001758152,0.0001378087,0.00009322093,0.0002038903,0.001074014,0.001018335,0.0005895779,0.0001864811,0.0001096083],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000277908,"about_ca_system_score_gemma":0.0001147754,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004066497,"about_ca_topic_score_gemma":0.0003614805,"domain_scores_codex":[0.9998947,0.00001924316,0.000005036584,0.00002628325,0.00002968706,0.00002499631],"domain_scores_gemma":[0.9993703,0.0002367406,0.0001935928,0.00004153834,0.00005239809,0.0001054688],"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":[0.001984112,0.0002405091,0.08590204,0.0003384422,0.000134959,0.0007160155,0.0005319028,0.08000869,0.6732647,0.09331444,0.001829234,0.06173491],"study_design_scores_gemma":[0.0001544672,0.000776971,0.12213,0.00003559973,0.000117413,0.001497338,0.0005732534,0.3819112,0.2846168,0.2044721,0.003492213,0.0002225108],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907163,0.0003861655,0.006185546,0.0001115518,0.00001320185,0.000005252907,0.00002905811,0.00002557933,0.002527412],"genre_scores_gemma":[0.999493,0.00008051234,0.0002819846,0.000007044859,0.00000533209,0.000002323414,0.00001578019,0.000003065429,0.0001108946],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009368262,"threshold_uncertainty_score":0.003134012,"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."}}