{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001956373,0.0008279447,0.0007643211,0.0006259916,0.0003319074,0.001337709,0.0004582646,0.001210033,0.000409552],"category_scores_gemma":[0.001304611,0.0003167131,0.0005281304,0.000518001,0.0007561363,0.001279633,0.0008077629,0.001063367,0.0003164722],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006065447,"about_ca_system_score_gemma":0.0007768128,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005394015,"about_ca_topic_score_gemma":0.0007120018,"domain_scores_codex":[0.9989918,0.0002452786,0.00006553697,0.0002464803,0.0003496435,0.0001012648],"domain_scores_gemma":[0.9994085,0.0001152034,0.0001367715,0.00006535617,0.0002185362,0.00005567842],"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":[0.00004685719,0.00005022424,0.0003999493,0.0001401987,0.00001637467,0.00008699291,0.0000649045,0.000858916,0.982848,0.001125414,0.0001189815,0.01424315],"study_design_scores_gemma":[0.00000845209,0.0005700296,0.001094193,0.00003084295,0.00004936075,0.0004073872,0.00009419869,0.01033539,0.9769116,0.0007105938,0.009750959,0.00003688983],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5263712,0.02047874,0.4434878,0.001664844,0.0002360966,0.0009035731,0.0004641914,0.0007318502,0.005661727],"genre_scores_gemma":[0.6492534,0.01031913,0.3354214,0.0005846047,0.0001328272,0.0003455142,0.0003569153,0.0001564383,0.003429846],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001956373,"threshold_uncertainty_score":0.01034641,"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."}}