{"id":"W2135008045","doi":"10.1002/cctc.201300739","title":"Improving the Selectivity toward Three‐Component Biginelli versus Hantzsch Reactions by Controlling the Catalyst Hydrophobic/Hydrophilic Surface Balance","year":2013,"lang":"en","type":"article","venue":"ChemCatChem","topic":"Multicomponent Synthesis of Heterocycles","field":"Chemistry","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Institute for Advanced Studies in Basic Sciences; Iran National Science Foundation","keywords":"Biginelli reaction; Thiourea; Catalysis; Chemistry; Selectivity; Mesoporous material; Urea; Benzaldehyde; Heterogeneous catalysis; Adsorption; Organic chemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003964164,0.0005378035,0.0005083432,0.00002832902,0.0007033748,0.0002691804,0.001179679,0.0002162564,0.0003843919],"category_scores_gemma":[0.0001909616,0.0003530847,0.0002847955,0.0001665297,0.0003264608,0.0003149455,0.0002407823,0.0008190638,0.0004129509],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003512419,"about_ca_system_score_gemma":0.0000650152,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004343257,"about_ca_topic_score_gemma":0.0000612144,"domain_scores_codex":[0.9971994,0.00006443571,0.0005793643,0.0007708359,0.0005581633,0.0008278374],"domain_scores_gemma":[0.9963441,0.001542733,0.0004181874,0.00139393,0.0001098983,0.0001911392],"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":[0.00007982288,0.0001580022,0.0006214645,0.00009349867,0.000179995,0.000001831634,0.0002006943,0.0002077964,0.996217,0.000005275754,0.0009311996,0.00130341],"study_design_scores_gemma":[0.001190201,0.000006878099,0.0002396035,0.00004736985,0.000110118,0.00001402768,0.0003277692,0.04916492,0.9460379,0.00005560524,0.002357532,0.0004480043],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9926667,0.001288172,0.0002927431,0.003774076,0.0002816967,0.0004486072,0.00003677542,0.0003041252,0.0009071373],"genre_scores_gemma":[0.9986724,0.00009913806,0.0001909285,0.00006062023,0.0003371374,0.0002158201,0.000054777,0.0000915536,0.00027757],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05017904,"threshold_uncertainty_score":0.9998921,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02002432377265146,"score_gpt":0.227979709470413,"score_spread":0.2079553856977615,"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."}}