{"id":"W2610344145","doi":"10.1039/c7cs00084g","title":"Application of computational methods to the design and characterisation of porous molecular materials","year":2017,"lang":"en","type":"review","venue":"Chemical Society Reviews","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":78,"is_retracted":false,"has_abstract":true,"ca_institutions":"Kensington Health","funders":"Engineering and Physical Sciences Research Council; Agence Nationale de la Recherche; Université de Recherche Paris Sciences et Lettres; European Commission","keywords":"Porosity; Materials science; Computer science; Nanotechnology; 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":[0.001613751,0.0003056949,0.001877241,0.000009536725,0.00009097256,0.00004415369,0.0006018099,0.0004013003,0.0001678604],"category_scores_gemma":[0.0004508321,0.0002012818,0.0005427584,0.0001238155,0.0001397437,0.00002930572,0.0001609954,0.0002159447,0.00001641643],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004843334,"about_ca_system_score_gemma":0.00006260376,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006097032,"about_ca_topic_score_gemma":1.746003e-8,"domain_scores_codex":[0.9978288,0.000199845,0.001240222,0.0004107931,0.0001780032,0.0001423317],"domain_scores_gemma":[0.99657,0.0005306425,0.001841638,0.0008999256,0.00008704849,0.00007078299],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"not_applicable","study_design_scores_codex":[9.723586e-7,0.00003128054,6.329274e-8,0.01081832,0.00008559084,2.343576e-8,0.0000454841,6.854548e-7,0.09325176,0.0001493465,0.0005985552,0.8950179],"study_design_scores_gemma":[0.00003663383,0.0000028892,3.920631e-7,0.003256509,0.0006032393,0.000005385971,0.000004132031,0.00003940467,0.06554811,0.0004065711,0.9299127,0.000184031],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"review","genre_gemma":"review","genre_scores_codex":[0.00001966822,0.8130279,0.1856856,0.00008558117,0.00001798556,0.001022995,0.00007114909,0.00001092787,0.0000581108],"genre_scores_gemma":[0.0000233154,0.8377028,0.1610224,0.00004898862,0.00009804538,0.0007988644,0.0002366067,0.00003350328,0.00003549761],"genre_candidate":"review","genre_consensus":"review","teacher_disagreement_score":0.9293141,"threshold_uncertainty_score":0.8208034,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.09801233822587191,"score_gpt":0.3917584660357297,"score_spread":0.2937461278098578,"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."}}