{"id":"W3191405391","doi":"10.1038/s41598-021-95246-6","title":"Towards estimation of CO2 adsorption on highly porous MOF-based adsorbents using gaussian process regression approach","year":2021,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":72,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Adsorption; Porosity; Computer science; Materials science; Gaussian; Fossil fuel; Process (computing); Greenhouse gas; Porous medium; Biological system; Process engineering; Environmental science; Chemistry; Geology; Organic chemistry; Composite material","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":[0.0006499235,0.0002034168,0.0002960082,0.0001160618,0.0002469762,0.0001690208,0.0001652675,0.0002011226,0.0005607112],"category_scores_gemma":[0.0004498524,0.0001758841,0.0001202563,0.000702152,0.000140584,0.0001421262,0.00004422586,0.000185572,0.000008588403],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000101538,"about_ca_system_score_gemma":0.0004348677,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001827875,"about_ca_topic_score_gemma":0.000001572998,"domain_scores_codex":[0.9972011,0.00004075935,0.0007216171,0.0008852059,0.0008955114,0.0002557964],"domain_scores_gemma":[0.9975132,0.00003716254,0.0007672921,0.00125223,0.0003088218,0.00012126],"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":[0.00002305695,0.001102347,0.0008826473,0.0005997948,0.00003144962,0.00005943099,0.0002412379,0.02695313,0.9587516,0.0003888609,0.000930944,0.01003545],"study_design_scores_gemma":[0.000131882,0.000007848495,0.0002764301,0.0005196832,0.00005700449,0.00007731729,0.0001404013,0.05597075,0.939899,0.002390121,0.0003351043,0.0001944522],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.980434,0.0001052107,0.01227891,0.0001061199,0.0007486145,0.0001669666,0.00001171587,0.00008654366,0.00606192],"genre_scores_gemma":[0.9878975,0.000002004911,0.010511,0.00001540664,0.00006342035,0.00004013885,0.0003407458,0.00003056956,0.001099192],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02901762,"threshold_uncertainty_score":0.7172343,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02760404471045725,"score_gpt":0.2865070029472346,"score_spread":0.2589029582367773,"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."}}