{"id":"W3049962663","doi":"10.1016/j.xphs.2020.08.006","title":"A Mechanistic Model for Predicting the Physical Stability of Amorphous Solid Dispersions","year":2020,"lang":"en","type":"article","venue":"Journal of Pharmaceutical Sciences","topic":"Drug Solubulity and Delivery Systems","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; University of Toronto","keywords":"Amorphous solid; Recrystallization (geology); Supersaturation; Materials science; Nucleation; Dissolution; Crystallization; Differential scanning calorimetry; Thermodynamics; Dispersion (optics); Chemical physics; Chemical engineering; Chemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003375175,0.0005368937,0.0004342034,0.0004708865,0.000407592,0.0005650858,0.0008496366,0.001261729,0.00207145],"category_scores_gemma":[0.0008309159,0.0003148948,0.0006398918,0.0002356354,0.0004141826,0.001228864,0.0003256795,0.0007698198,0.0005595973],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005250961,"about_ca_system_score_gemma":0.00067679,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002598737,"about_ca_topic_score_gemma":0.001376334,"domain_scores_codex":[0.9999092,0.00001336266,0.000006631619,0.00002396131,0.00003290994,0.00001398464],"domain_scores_gemma":[0.9998255,0.0000823993,0.00003007315,0.00001630816,0.00003621929,0.000009535974],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00006339204,0.0001555848,0.001157853,0.000190568,0.00004480245,0.000351232,0.0000730812,0.8692127,0.06591499,0.04923298,0.001038936,0.01256395],"study_design_scores_gemma":[0.000008276344,0.00003911249,0.0002851659,0.000005294077,0.0000109785,0.00004750078,0.000008757014,0.988462,0.003799654,0.006567705,0.0007588397,0.000006750344],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.4074836,0.002497101,0.5600151,0.002017516,0.0002760218,0.0003098904,0.0009443847,0.0005268609,0.02592954],"genre_scores_gemma":[0.9698304,0.001298017,0.01903624,0.0001504611,0.00004486141,0.0001880389,0.0002049525,0.00004908396,0.009197966],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002598737,"threshold_uncertainty_score":0.006929636,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.3251492849352132,"score_gpt":0.4883616649678738,"score_spread":0.1632123800326606,"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."}}