{"id":"W4310251330","doi":"10.1002/jcc.27043","title":"<scp>GAMaterial</scp>—A genetic‐algorithm software for material design and discovery","year":2022,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Machine Learning in Materials Science","field":"Materials Science","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; University of Calgary","funders":"Fundação de Amparo à Pesquisa e Inovação do Espírito Santo; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Natural Sciences and Engineering Research Council of Canada; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior","keywords":"Cluster (spacecraft); Dopant; Software; Genetic algorithm; Computer science; Graphene; Algorithm; Computational science; Doping; Nanotechnology; Materials science; Biological system; Machine learning","routes":{"ca_aff":true,"ca_fund":true,"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":[0.001487307,0.001439552,0.0009782107,0.001146607,0.0006356033,0.00135478,0.002762909,0.001281705,0.06456254],"category_scores_gemma":[0.004035302,0.0006822239,0.001285504,0.001127126,0.001016345,0.001141474,0.001659226,0.002151403,0.01349222],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008596908,"about_ca_system_score_gemma":0.001578785,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003177949,"about_ca_topic_score_gemma":0.002776429,"domain_scores_codex":[0.9993038,0.0001365146,0.00005023722,0.0001071822,0.0003318548,0.00007037003],"domain_scores_gemma":[0.9985032,0.0008634935,0.0000965974,0.0001724528,0.000291335,0.00007279152],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.000494884,0.0002624384,0.002098658,0.002109486,0.0003800796,0.0009510127,0.0003038502,0.1148768,0.01718661,0.07015719,0.5377631,0.2534159],"study_design_scores_gemma":[0.0005136702,0.00008174872,0.001218071,0.0002276314,0.00005109976,0.0003564993,0.00003275535,0.6247764,0.02576226,0.04033256,0.3065152,0.0001321318],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"methods","genre_gemma":"software","genre_scores_codex":[0.007096231,0.000346227,0.612868,0.0008986655,0.0003681537,0.0002923002,0.01765986,0.3388385,0.02163199],"genre_scores_gemma":[0.1011296,0.0006889179,0.7507786,0.001286258,0.0001676259,0.002341837,0.02919435,0.08904377,0.02536901],"genre_candidate":"software","genre_consensus":null,"teacher_disagreement_score":0.06456254,"threshold_uncertainty_score":0.2159832,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009637391813891812,"score_gpt":0.2440704195053743,"score_spread":0.2344330276914825,"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."}}