{"id":"W4403692138","doi":"10.3390/ph17111417","title":"In Silico Modeling of Myelin Oligodendrocyte Glycoprotein Disulfide Bond Reduction by Phosphine-Borane Complexes","year":2024,"lang":"en","type":"article","venue":"Pharmaceuticals","topic":"Multiple Sclerosis Research Studies","field":"Medicine","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University Health Centre; McGill University","funders":"Canadian Institutes of Health Research; Santen; McGill University Health Centre; Genentech; Canada Research Chairs; McGill University","keywords":"In silico; Borane; Phosphine; Chemistry; Disulfide bond; Reduction (mathematics); Myelin oligodendrocyte glycoprotein; Computational biology; Combinatorial chemistry; Biochemistry; Myelin; Biology; Neuroscience; Mathematics; Central nervous system","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006730374,0.0002358585,0.000557695,0.0002515847,0.0000555654,0.00003529953,0.0001373965,0.00008471441,0.0003763867],"category_scores_gemma":[0.0003278053,0.0002021816,0.0001341139,0.0006142596,0.0002120835,0.0002129249,0.0001289164,0.0005445509,0.00008531225],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001695738,"about_ca_system_score_gemma":0.00008583313,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003380917,"about_ca_topic_score_gemma":0.000009223631,"domain_scores_codex":[0.9976208,0.00007639216,0.0006534032,0.0004837184,0.0006528452,0.000512823],"domain_scores_gemma":[0.9991399,0.000184291,0.00004020343,0.0002668327,0.0001285913,0.0002401948],"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":[0.0006367738,0.0002961048,0.0001943118,0.001064311,0.0001549666,0.00004569379,0.0005224423,0.0004948689,0.9820269,0.0002299396,0.007714736,0.006618944],"study_design_scores_gemma":[0.001868371,0.00009950733,0.0001501082,0.0006749106,0.00008700789,0.00003060214,0.0001924298,0.3092361,0.679196,0.0002214791,0.008055503,0.0001880043],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9548589,0.03160676,0.001091913,0.009230682,0.0003058729,0.001432027,0.0001272119,0.0001759225,0.001170707],"genre_scores_gemma":[0.9924791,0.005745649,0.0008101484,0.0001526637,0.0002407981,0.0001256432,0.00003142573,0.00004440885,0.0003701763],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3087412,"threshold_uncertainty_score":0.8244727,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07408929608917121,"score_gpt":0.4122843734118527,"score_spread":0.3381950773226815,"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."}}