{"id":"W3119702593","doi":"10.1016/j.jmat.2020.12.018","title":"Accelerated discovery of boron-dipyrromethene sensitizer for solar cells by integrating data mining and first principle","year":2020,"lang":"en","type":"article","venue":"Journal of Materiomics","topic":"TiO2 Photocatalysis and Solar Cells","field":"Energy","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"National Key Research and Development Program of China; Science and Technology Commission of Shanghai Municipality; Natural Science Foundation of Shanghai","keywords":"BODIPY; Absorption (acoustics); Materials science; Inverse; Computer science; Maximum power principle; Optoelectronics; Power (physics); Fluorescence; Physics; Mathematics; Optics","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":[],"consensus_categories":[],"category_scores_codex":[0.0004917664,0.0001532553,0.000483073,0.00006047341,0.00006945302,0.0001601307,0.0003304092,0.00008237336,0.00002411851],"category_scores_gemma":[0.0001189407,0.0001241456,0.00008491718,0.0001123707,0.00003307889,0.0005159473,0.0002048947,0.0001100672,0.000001061428],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002527385,"about_ca_system_score_gemma":0.00005037553,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005990643,"about_ca_topic_score_gemma":0.00003508821,"domain_scores_codex":[0.9987196,0.00004656594,0.0007117118,0.0001892626,0.0001605228,0.0001723266],"domain_scores_gemma":[0.9987663,0.000123076,0.0006446652,0.0002468883,0.0001199202,0.00009912097],"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":[0.0002494628,0.00004168107,0.0002294726,0.0001696103,0.0001660753,0.00001105384,0.001127268,0.0002559074,0.9946569,0.00002339866,0.00191364,0.001155509],"study_design_scores_gemma":[0.001129434,0.0002682942,0.0001349103,0.0001230836,0.0001537689,0.0000322194,0.0009194883,0.02080703,0.9423569,0.000022275,0.03383877,0.0002138174],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9943061,0.0001801748,0.004520667,0.0002544426,0.0001559117,0.0001073934,0.0004059379,0.000007464453,0.00006194862],"genre_scores_gemma":[0.9815963,0.0002579209,0.0176057,0.0001894846,0.0001452626,0.000001164271,0.0001140123,0.00003707788,0.00005307153],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05230001,"threshold_uncertainty_score":0.5062512,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04363736376342377,"score_gpt":0.2699874039872022,"score_spread":0.2263500402237784,"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."}}