{"id":"W2886704199","doi":"10.1038/s41557-018-0130-8","title":"Beyond the typical role of solvent","year":2018,"lang":"en","type":"article","venue":"Nature Chemistry","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"Concordia University","funders":"","keywords":"Chemistry; Solvent; Quantum chemical; Molecule; Chemical physics; Computational chemistry; Solvent effects; 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00003269314,0.00007478519,0.00009366064,0.000002076396,0.00007409962,0.000006111909,0.0001519452,0.00007958052,0.00101411],"category_scores_gemma":[0.00000881016,0.00004678141,0.0000687756,0.00006028484,0.0001686141,0.00001201291,0.0000601894,0.0003180389,0.000011139],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007371259,"about_ca_system_score_gemma":0.00001322333,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004903049,"about_ca_topic_score_gemma":2.335259e-7,"domain_scores_codex":[0.9995757,0.000003052694,0.00008737967,0.0001119726,0.00009588928,0.0001259973],"domain_scores_gemma":[0.9996923,0.00003440352,0.00004310585,0.0001549054,0.0000485106,0.00002673857],"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":[0.00003842447,0.00007629603,0.005164272,0.000009917479,0.00006967687,1.280868e-7,0.0001126611,9.84852e-8,0.9732176,0.01207831,0.008268477,0.0009641602],"study_design_scores_gemma":[0.00009531636,0.000007891097,0.000606594,0.000005985712,0.00001331208,2.885444e-7,0.0001986872,0.00001244258,0.9621215,0.02088121,0.01600271,0.00005405897],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8670767,0.00064281,0.00002179693,0.00035032,0.00007216894,0.00003136404,0.00001833878,0.00001108882,0.1317754],"genre_scores_gemma":[0.9985779,0.000001403877,0.00006326938,0.00007027942,0.001022315,0.00000486952,0.000009350411,0.00000483871,0.0002457616],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1315297,"threshold_uncertainty_score":0.9998991,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002545960653788376,"score_gpt":0.240693931770769,"score_spread":0.2381479711169806,"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."}}