{"id":"W4413434541","doi":"10.1021/acs.accounts.5c00472","title":"Overcoming the Hydration and Solvation Problem in Ion Recognition and Binding: The Biomimetic Approach","year":2025,"lang":"en","type":"article","venue":"Accounts of Chemical Research","topic":"Analytical Chemistry and Sensors","field":"Chemical Engineering","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Division of Chemistry; McMaster University","keywords":"Solvation; Chemistry; Ion; Chemical physics; Nanotechnology; Computational chemistry; Materials science; Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0009913513,0.00007938246,0.0001177314,0.00008266267,0.00007196286,0.00004581916,0.0001477121,0.0001241069,0.000009706329],"category_scores_gemma":[0.001118297,0.00005032789,0.00002141898,0.0005037944,0.0002606476,0.000104601,0.0001251457,0.0004564973,0.000002440883],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000578047,"about_ca_system_score_gemma":0.00002365766,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005943063,"about_ca_topic_score_gemma":0.000001090354,"domain_scores_codex":[0.9990239,0.00004461296,0.0002281168,0.0002026819,0.0002911375,0.00020961],"domain_scores_gemma":[0.9987779,0.0009156466,0.00003102689,0.0001462979,0.00009901576,0.00003010166],"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":[0.0000565527,0.00003990082,0.000555344,0.0001745252,0.00001431139,2.661273e-7,0.000207522,0.00001268351,0.9945006,0.001123187,0.00008840574,0.003226686],"study_design_scores_gemma":[0.0004438586,0.00001028839,0.0003074215,0.0001621979,0.00001448396,0.000002167693,0.0004753303,0.04387037,0.944861,0.009580306,0.0001800287,0.00009252844],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9943457,0.0001208911,0.0001737331,0.001162585,0.000006462358,0.0001965826,0.000002882648,0.000009680512,0.003981471],"genre_scores_gemma":[0.9995289,0.00005467708,0.0001767528,0.00002572297,0.00003024168,0.00002555236,0.00001863164,0.000005915574,0.000133613],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0496396,"threshold_uncertainty_score":0.2052312,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06541012985206043,"score_gpt":0.3258183566976227,"score_spread":0.2604082268455622,"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."}}