{"id":"W2083170999","doi":"10.1021/jp202839u","title":"Use of the Dual Potential to Rationalize the Occurrence of Some DNA Lesions (Pyrimidic Dimers)","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Organic Chemistry Cycloaddition Reactions","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Excited state; Density functional theory; Electrophile; Nucleophile; Chemistry; Computational chemistry; Formalism (music); Regioselectivity; Ground state; Relaxation (psychology); Chemical physics; Theoretical physics; Quantum mechanics; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002096649,0.0002715344,0.0002976879,0.0005479484,0.0002399189,0.0004502018,0.0004271658,0.0003914702,0.0009929276],"category_scores_gemma":[0.0005826312,0.0001379022,0.0003041243,0.0002293851,0.0006397091,0.0005245903,0.0004950733,0.0004925604,0.0001136504],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004141217,"about_ca_system_score_gemma":0.00030398,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003838348,"about_ca_topic_score_gemma":0.0005220297,"domain_scores_codex":[0.99994,0.00001317312,0.000002726111,0.00001188479,0.00002216045,0.00001002388],"domain_scores_gemma":[0.9998854,0.00005337891,0.00001694826,0.00002016601,0.000011858,0.00001222932],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0002022965,0.0001007402,0.002909608,0.0002343645,0.00005365999,0.0009448834,0.0001345121,0.406087,0.1432923,0.4002534,0.0006400331,0.04514737],"study_design_scores_gemma":[0.00001826314,0.00007931186,0.000523621,0.000007137285,0.00001489707,0.0002277325,0.00002472636,0.9328519,0.01801466,0.04687003,0.001349024,0.00001865616],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5447655,0.0007296503,0.4327667,0.0005359528,0.0001021242,0.00008635209,0.000117328,0.0003347891,0.02056156],"genre_scores_gemma":[0.971045,0.00009286846,0.0276786,0.00002659498,0.000006503876,0.00002705889,0.0000314029,0.00002018537,0.001071773],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009929276,"threshold_uncertainty_score":0.003321648,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03481501111145129,"score_gpt":0.2435186249911746,"score_spread":0.2087036138797233,"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."}}