{"id":"W2127697325","doi":"10.1007/s10822-010-9383-z","title":"Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors","year":2010,"lang":"en","type":"article","venue":"Journal of Computer-Aided Molecular Design","topic":"Protein Structure and Dynamics","field":"Biochemistry, Genetics and Molecular Biology","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Solubility; Virial coefficient; Thermodynamics; Chemistry; Ionic strength; Dipole; Moment (physics); Computational chemistry; Physical chemistry; Aqueous solution; Physics; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000427471,0.0002391642,0.0004007217,0.0000918338,0.00005269739,0.00004069322,0.0003649779,0.0001974095,0.00000181998],"category_scores_gemma":[0.000109239,0.0002107052,0.0002372884,0.0001504774,0.000103838,0.00002426979,0.0001634401,0.0003161248,2.176922e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002118699,"about_ca_system_score_gemma":0.0002930046,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007325828,"about_ca_topic_score_gemma":0.000001944432,"domain_scores_codex":[0.9984475,0.0001673132,0.0005691997,0.0002804155,0.0002851555,0.0002504529],"domain_scores_gemma":[0.9988295,0.00001201638,0.0003482206,0.0003561062,0.0002793552,0.0001748003],"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":[0.0003428853,0.00008198627,0.00001397417,0.00002994576,0.0001123946,0.00001889282,0.000113213,0.08902875,0.9090777,0.0004103694,0.00001011072,0.0007597919],"study_design_scores_gemma":[0.0003533752,0.0006255716,0.000005953267,0.00005098201,0.00003817694,0.0001679584,0.00002505983,0.144188,0.8511124,0.003218789,0.0000228216,0.0001909405],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4918265,0.00005258602,0.507759,0.00004135437,0.00009075501,0.0002160561,0.000002799384,0.000003243814,0.000007658331],"genre_scores_gemma":[0.6503309,0.000001341583,0.3494082,0.00004906057,0.0001814331,0.000004141365,0.000002880688,0.00002007812,0.000001984349],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.1585044,"threshold_uncertainty_score":0.8592311,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04928600193871545,"score_gpt":0.2413318084632036,"score_spread":0.1920458065244882,"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."}}