{"id":"W4399683464","doi":"10.1021/acs.molpharmaceut.4c00177","title":"Toward the Establishment of a Harmonized Physicochemical Profiling Platform for Therapeutic Oligonucleotides: A Case Study for Aptamers Where the Higher-Order Structure Influences Physical Properties","year":2024,"lang":"en","type":"article","venue":"Molecular Pharmaceutics","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute for Materials Science; University of Tsukuba; Mitsubishi Tanabe Pharma Corporation; Astellas Pharma; Sawai Pharmaceutical; Eisai Canada; Daiichi-Sankyo; Takeda Pharmaceutical Company","keywords":"Aptamer; Chemistry; Oligonucleotide; Circular dichroism; Differential scanning calorimetry; Solubility; Chemical stability; Combinatorial chemistry; Ultraviolet visible spectroscopy; Nucleic acid; Biophysics; Organic chemistry; Crystallography; Biochemistry; DNA; Thermodynamics","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":[0.0001908879,0.0003178017,0.0002538026,0.00002079523,0.0001645854,0.0001265529,0.0004404977,0.0001090917,0.000004574947],"category_scores_gemma":[0.00003532714,0.0001824778,0.0002642387,0.0001771506,0.000298831,0.00001336142,0.0001539533,0.0002425986,4.761902e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002494946,"about_ca_system_score_gemma":0.0001415588,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001282426,"about_ca_topic_score_gemma":0.000002399147,"domain_scores_codex":[0.9985864,0.00004703823,0.0002949864,0.0004562182,0.0002513319,0.0003640534],"domain_scores_gemma":[0.9991472,0.00007327476,0.00009888924,0.000415235,0.000198222,0.00006719708],"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":[0.0002655701,0.0001942203,0.00003964767,0.0004989938,0.0007579786,0.00003344663,0.001997443,0.0002004179,0.9914401,0.00009043774,0.00020466,0.004277064],"study_design_scores_gemma":[0.001082283,0.0002872324,0.000001981047,0.00004105178,0.0005698393,0.00009137036,0.005787177,0.006912576,0.9742871,0.0002584238,0.01042483,0.0002561559],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915324,0.004399107,0.0009893465,0.0008216021,0.0002139224,0.001879823,0.0001052857,0.0000339071,0.00002460678],"genre_scores_gemma":[0.998118,0.00006894415,0.000523226,0.0003951626,0.0003171933,0.0004121323,0.00003584932,0.00006706808,0.00006241884],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01715304,"threshold_uncertainty_score":0.7441229,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04564061488273206,"score_gpt":0.3287330969729703,"score_spread":0.2830924820902382,"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."}}