{"id":"W2003971087","doi":"10.6000/1929-5030.2014.03.02.6","title":"Substituent Effects on the Activation Parameter Changes for the Aminolysis in the Bimolecular Nucleophilic Reactions in Solution","year":2014,"lang":"en","type":"article","venue":"Journal of Applied Solution Chemistry and Modeling","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Universidad Nacional de Colombia","keywords":"Aminolysis; Substituent; Chemistry; Nucleophile; Photochemistry; Medicinal chemistry; Computational chemistry; Organic chemistry; Catalysis","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000898699,0.0001411276,0.000163098,0.00003332175,0.0002035019,0.00004805114,0.0001957478,0.0001438432,0.000009278371],"category_scores_gemma":[0.0004690732,0.00008250238,0.00009150268,0.0001318871,0.00003743468,0.00005608801,0.00002232454,0.0005257289,5.561031e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000159059,"about_ca_system_score_gemma":0.00002256852,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001168783,"about_ca_topic_score_gemma":0.000005053429,"domain_scores_codex":[0.998999,0.00002394741,0.0003363057,0.000170506,0.0002751906,0.0001950631],"domain_scores_gemma":[0.998092,0.001322557,0.0002671037,0.0002215835,0.00005976685,0.00003697798],"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":[0.0001555928,0.00005967341,0.000002630146,0.00008323686,0.00002019058,4.049425e-7,0.0002547308,0.008983011,0.9854343,0.0006031781,0.0000183309,0.004384724],"study_design_scores_gemma":[0.0005515717,0.00001331117,0.000008842744,0.0001268505,0.00004707765,0.00001178974,0.0004432042,0.263081,0.7319481,0.003143644,0.0005372324,0.00008741619],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9416205,0.00005030608,0.0545391,0.003136077,0.00004322533,0.0001633208,0.000001244211,0.000009603307,0.0004366769],"genre_scores_gemma":[0.9988957,0.0001020298,0.0002597561,0.0003196637,0.0003010437,0.00009469467,0.000005292088,0.00001201852,0.000009792286],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.254098,"threshold_uncertainty_score":0.336435,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03028468524681585,"score_gpt":0.2528837279629642,"score_spread":0.2225990427161484,"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."}}