{"id":"W4387668161","doi":"10.26434/chemrxiv-2023-v305j","title":"In silico investigation of the interaction between α-synuclein aggregates and organic supramolecular assemblies","year":2023,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Conducting polymers and applications","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"Université de Namur; Fonds de recherche du Québec; Fonds De La Recherche Scientifique - FNRS","keywords":"Stacking; Supramolecular chemistry; Chemical physics; Molecule; Molecular dynamics; Chemistry; Self-assembly; Aggregate (composite); Nanotechnology; In silico; Computational chemistry; Materials science; Organic chemistry","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":[0.000275265,0.000126387,0.0002020013,0.00007836561,0.00005863071,0.00006902384,0.0002629513,0.0001309329,0.00004959879],"category_scores_gemma":[0.0001749535,0.000104716,0.00004507897,0.0002345521,0.0001507916,0.00007691669,0.000526756,0.0002402496,0.00002057599],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003572329,"about_ca_system_score_gemma":0.00006829352,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004127354,"about_ca_topic_score_gemma":0.0000620128,"domain_scores_codex":[0.9990941,0.00006061202,0.0002863018,0.000315988,0.0001258664,0.00011715],"domain_scores_gemma":[0.9991335,0.000130151,0.0002724852,0.0003905388,0.00004125491,0.00003212691],"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":[9.44709e-7,0.000005543116,0.01347196,0.0000843122,0.000006058738,2.715171e-7,0.000501383,0.00001245398,0.9855914,0.00005415263,0.0001599948,0.0001115608],"study_design_scores_gemma":[0.00006130766,0.000004437159,0.02064729,0.0001873915,0.00002618066,8.505768e-7,0.0001851587,0.00003714796,0.9742419,0.004401526,0.0001065843,0.0001002391],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966412,0.0001366656,0.00001931484,0.002526272,0.0003836269,0.0002168077,0.00000516596,0.0000443011,0.00002666239],"genre_scores_gemma":[0.9994891,0.00003028274,0.0001153317,0.00003616523,0.00007836675,0.00004214226,0.0000152958,0.00002068715,0.0001726698],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01134948,"threshold_uncertainty_score":0.4270195,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05107939510739613,"score_gpt":0.2894760328679852,"score_spread":0.2383966377605891,"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."}}