{"id":"W4407373383","doi":"10.1021/acs.jpcb.4c08634","title":"Intermolecular Forces in Bioactive Resveratrol Complexes with Alcohols: A Study of Stability and Electronic Structure","year":2025,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre for Global Health Research","funders":"King Saud University","keywords":"Natural bond orbital; Non-covalent interactions; Intermolecular force; Chemistry; Hydrogen bond; Resveratrol; Chemical physics; Computational chemistry; Molecule; Solvation; Interaction energy; Supramolecular chemistry; Atoms in molecules; Density functional theory; Basis set; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000139154,0.000315841,0.0003704618,0.0002050831,0.0003977396,0.0002879745,0.000484488,0.0002266456,0.001630963],"category_scores_gemma":[0.0002713685,0.0001387557,0.0002638947,0.0002977389,0.0002772752,0.0003185184,0.0004323019,0.0003223676,0.0001511016],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004097381,"about_ca_system_score_gemma":0.0002437201,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003381697,"about_ca_topic_score_gemma":0.004473106,"domain_scores_codex":[0.9999025,0.00001622154,0.000005049421,0.00001711731,0.00003915741,0.00001991127],"domain_scores_gemma":[0.999915,0.00003345898,0.00001820185,0.000008877601,0.00001655616,0.000007824629],"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":[0.001453107,0.0005994132,0.01368193,0.001853683,0.0005000102,0.0008484732,0.0006657194,0.1525175,0.7871962,0.01089622,0.002624917,0.02716281],"study_design_scores_gemma":[0.0002209858,0.00184415,0.01845217,0.00005562116,0.000343796,0.0003283682,0.0008499311,0.5707426,0.3964419,0.002581964,0.008005966,0.0001324101],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967548,0.0007737193,0.001024887,0.00005585765,0.00001160455,0.000009217783,0.00009358519,0.00002306984,0.001253278],"genre_scores_gemma":[0.9983143,0.0003641141,0.0007273755,0.00002287683,0.000004815326,0.00001358288,0.0002113274,0.00001082746,0.0003308001],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003381697,"threshold_uncertainty_score":0.00672406,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005318035203799271,"score_gpt":0.2532904870170762,"score_spread":0.247972451813277,"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."}}