{"id":"W3145435482","doi":"10.5267/j.ccl.2020.12.003","title":"Molecular simulation of curcumin loading on graphene and graphene oxide for drug delivery applications","year":2021,"lang":"en","type":"article","venue":"Current Chemistry Letters","topic":"Graphene and Nanomaterials Applications","field":"Engineering","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"United Arab Emirates University","keywords":"Graphene; Curcumin; Molecular dynamics; Chemistry; Polyethylene glycol; Nanocarriers; Oxide; Drug delivery; Adsorption; Molecule; Aqueous solution; Potential of mean force; Nanotechnology; Chemical engineering; Computational chemistry; Organic chemistry; Materials science","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00017431,0.0004698428,0.0006518628,0.0004548327,0.0006422756,0.0004544409,0.0007175828,0.001091473,0.003518336],"category_scores_gemma":[0.0005430807,0.0003595068,0.0006048374,0.0005128366,0.0004106236,0.0004654763,0.0002851724,0.0006359866,0.0002228779],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001238527,"about_ca_system_score_gemma":0.001015468,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01404318,"about_ca_topic_score_gemma":0.009402161,"domain_scores_codex":[0.9999139,0.00001600129,0.000002838117,0.00001210107,0.00002736789,0.00002768654],"domain_scores_gemma":[0.9997199,0.0001548632,0.00003019818,0.00001523031,0.00004849613,0.00003136776],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001033971,0.00009792476,0.001147854,0.00009902049,0.00004769887,0.0001571666,0.00005228818,0.9823981,0.01090216,0.002944462,0.0004026886,0.001647193],"study_design_scores_gemma":[0.00001581954,0.00004366491,0.0003430041,0.000004075064,0.000007989376,0.000009793112,0.00001430254,0.9975382,0.001459106,0.0002544814,0.0003036709,0.000005812256],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9712468,0.0003399145,0.01214789,0.0004295027,0.00005755785,0.00007798026,0.0008409331,0.0001966098,0.01466287],"genre_scores_gemma":[0.9855827,0.000329508,0.009648453,0.0001103095,0.00001510891,0.0001589023,0.0006469272,0.00006645371,0.003441506],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01404318,"threshold_uncertainty_score":0.02792287,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009335098889526026,"score_gpt":0.230055862529383,"score_spread":0.220720763639857,"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."}}