{"id":"W4403140244","doi":"10.1016/j.molstruc.2024.140294","title":"Exploration of the synthesis, crystal structure, Hirshfeld surface analysis, binding properties, antibacterial activities, and molecular docking of a Schiff base nickel (II) Complex","year":2024,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Metal complexes synthesis and properties","field":"Medicine","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"Memorial University of Newfoundland","funders":"Ministry of Education – Kingdom of Saudi Arabi; Khulna University","keywords":"Chemistry; Schiff base; Nickel; Crystal structure; Docking (animal); Antibacterial activity; Combinatorial chemistry; Crystallography; Stereochemistry; Organic chemistry; Bacteria","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":[0.0001031109,0.0002002585,0.0001578728,0.0001439787,0.000219549,0.0002350352,0.0004789577,0.0001930981,0.0008394111],"category_scores_gemma":[0.0001466799,0.00008533715,0.0001381167,0.00020213,0.0001163578,0.0001483635,0.0001219517,0.0003420041,0.0001837557],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003557545,"about_ca_system_score_gemma":0.0003866549,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001797283,"about_ca_topic_score_gemma":0.002006454,"domain_scores_codex":[0.9999428,0.00000791984,0.000003930668,0.000009504016,0.00002487782,0.00001095815],"domain_scores_gemma":[0.9999676,0.000005226603,0.000005101776,0.00000488036,0.00000930339,0.000007874313],"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":[0.0001413071,0.0001096179,0.0005274955,0.0001216576,0.00001821345,0.0001343087,0.00006217405,0.001608803,0.9887162,0.001734995,0.000388059,0.006437227],"study_design_scores_gemma":[0.00002545747,0.0002076648,0.0008444355,0.000005370789,0.00001907844,0.0001779544,0.0000545741,0.006060116,0.9866199,0.0001851603,0.005791314,0.000008974707],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9897565,0.001524022,0.004854835,0.0002273271,0.00001634074,0.00003990893,0.0002640337,0.00007224615,0.003244842],"genre_scores_gemma":[0.9908624,0.0009781698,0.004740023,0.00004091284,0.000005967183,0.00001775675,0.000760694,0.00001535233,0.002578663],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001797283,"threshold_uncertainty_score":0.003573596,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03472509397464942,"score_gpt":0.2553390356765279,"score_spread":0.2206139417018785,"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."}}