{"id":"W1999452781","doi":"10.1021/cc0501559","title":"Screening of a Combinatorial Library of Synthetic Polyamines Displaying Selectivity in Multiple Ion-Pairing Interactions with Model Polyanionic Compounds in Aqueous Organic Solutions","year":2006,"lang":"en","type":"article","venue":"Journal of Combinatorial Chemistry","topic":"Chemical Synthesis and Analysis","field":"Biochemistry, Genetics and Molecular Biology","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Alberta Heritage Foundation for Medical Research","keywords":"Chemistry; Combinatorial chemistry; Polyamine; Aqueous solution; Spermidine; Biomolecule; Peptide; Ligand (biochemistry); Selectivity; Organic chemistry; Biochemistry; Receptor","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002525426,0.0006552865,0.0004539095,0.0003585173,0.0001487292,0.0004033823,0.0003678309,0.0003277027,0.000855191],"category_scores_gemma":[0.000298723,0.000201632,0.0002237653,0.0004628197,0.0001562262,0.0002079533,0.0003091012,0.0002878272,0.0004124174],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002003744,"about_ca_system_score_gemma":0.0002208532,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000296916,"about_ca_topic_score_gemma":0.0007746115,"domain_scores_codex":[0.999757,0.00004034316,0.0000232728,0.00006406723,0.00007790815,0.00003746458],"domain_scores_gemma":[0.9998291,0.00004258039,0.00003269749,0.00001779112,0.00003192166,0.00004600404],"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":[0.00007187567,0.00004246622,0.00009143785,0.00004332871,0.00000560262,0.00003799727,0.00001090706,0.0002024662,0.9977381,0.00002282128,0.00001495328,0.001718075],"study_design_scores_gemma":[0.00001806899,0.0008325583,0.0008098473,0.000005443792,0.00002281122,0.00009613282,0.00001563724,0.001040234,0.9963835,0.00001041211,0.0007593058,0.000006009883],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9906842,0.0006006267,0.006172066,0.00003173187,0.00001261846,0.0002292972,0.000392861,0.0001242175,0.001752464],"genre_scores_gemma":[0.9735593,0.001148376,0.01958961,0.00006329949,0.0000111972,0.0003123677,0.001251082,0.00004337779,0.004021489],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000855191,"threshold_uncertainty_score":0.002860844,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007513921315452923,"score_gpt":0.2105279812991097,"score_spread":0.2030140599836568,"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."}}