{"id":"https://openalex.org/W2990198263","doi":"https://doi.org/10.1002/wcms.1450","title":"Machine learning and artificial neural network accelerated computational discoveries in materials science","display_name":"Machine learning and artificial neural network accelerated computational discoveries in materials science","publication_year":2019,"publication_date":"2019-11-20","ids":{"openalex":"https://openalex.org/W2990198263","doi":"https://doi.org/10.1002/wcms.1450","mag":"2990198263"},"language":"en","primary_location":{"id":"doi:10.1002/wcms.1450","doi":"https://doi.org/10.1002/wcms.1450","is_oa":false,"landing_page_url":"https://doi.org/10.1002/wcms.1450","pdf_url":null,"source":{"id":"https://openalex.org/S136120998","display_name":"Wiley Interdisciplinary Reviews Computational Molecular Science","issn_l":"1759-0876","issn":["1759-0876","1759-0884"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","ki-jl-1","norway-1","poland-200","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"WIREs Computational Molecular Science","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100610154","display_name":"Yang Hong","orcid":"https://orcid.org/0000-0001-6910-9598","observed_orcids":["https://orcid.org/0000-0001-6910-9598"]},"institutions":[{"id":"https://openalex.org/I114395901","display_name":"University of Nebraska\u2013Lincoln","ror":"https://ror.org/043mer456","country_code":"US","type":"education","lineage":["https://openalex.org/I114395901"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yang Hong","raw_affiliation_strings":["Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska","institution_ids":["https://openalex.org/I114395901"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052373032","display_name":"Bo Hou","orcid":"https://orcid.org/0000-0001-9918-8223","observed_orcids":["https://orcid.org/0000-0001-9918-8223"]},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Bo Hou","raw_affiliation_strings":["Department of Engineering, University of Cambridge, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Engineering, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112127089","display_name":"Hengle Jiang","orcid":"https://orcid.org/0009-0003-4042-3104","observed_orcids":["https://orcid.org/0009-0003-4042-3104"]},"institutions":[{"id":"https://openalex.org/I114395901","display_name":"University of Nebraska\u2013Lincoln","ror":"https://ror.org/043mer456","country_code":"US","type":"education","lineage":["https://openalex.org/I114395901"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hengle Jiang","raw_affiliation_strings":["Holland Computing Center, University of Nebraska-Lincoln, Lincoln, Nebraska"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Holland Computing Center, University of Nebraska-Lincoln, Lincoln, Nebraska","institution_ids":["https://openalex.org/I114395901"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040219863","display_name":"Jingchao Zhang","orcid":"https://orcid.org/0000-0001-5289-6062","observed_orcids":["https://orcid.org/0000-0001-5289-6062","https://orcid.org/0009-0009-3296-6495"]},"institutions":[{"id":"https://openalex.org/I114395901","display_name":"University of Nebraska\u2013Lincoln","ror":"https://ror.org/043mer456","country_code":"US","type":"education","lineage":["https://openalex.org/I114395901"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Jingchao Zhang","raw_affiliation_strings":["Holland Computing Center, University of Nebraska-Lincoln, Lincoln, Nebraska"],"raw_orcid":"https://orcid.org/0000-0001-5289-6062","affiliations":[{"raw_affiliation_string":"Holland Computing Center, University of Nebraska-Lincoln, Lincoln, Nebraska","institution_ids":["https://openalex.org/I114395901"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5040219863"],"corresponding_institution_ids":["https://openalex.org/I114395901"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":3.5041,"has_fulltext":false,"cited_by_count":155,"citation_normalized_percentile":{"value":0.94157096,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":100},"biblio":{"volume":"10","issue":"3","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/machine-learning","display_name":"machine learning","score":0.8109999895095825},{"id":"https://openalex.org/keywords/neural-network","display_name":"artificial neural networks","score":1.0},{"id":"https://openalex.org/keywords/computational-materials-science","display_name":"computational materials science","score":0.984000027179718},{"id":"https://openalex.org/keywords/interatomic-potentials","display_name":"interatomic potentials","score":0.7670000195503235},{"id":"https://openalex.org/keywords/machine-learning-interatomic-potentials","display_name":"machine learning interatomic potentials","score":0.6179999709129333},{"id":"https://openalex.org/keywords/property-prediction","display_name":"property prediction","score":0.968999981880188},{"id":"https://openalex.org/keywords/generative-adversarial-networks","display_name":"generative adversarial networks","score":0.9570000171661377},{"id":"https://openalex.org/keywords/molecular-discovery","display_name":"molecular discovery","score":0.828000009059906},{"id":"https://openalex.org/keywords/supervised-learning","display_name":"supervised learning","score":0.7559999823570251},{"id":"https://openalex.org/keywords/unsupervised-learning","display_name":"unsupervised learning","score":0.925000011920929},{"id":"https://openalex.org/keywords/data-driven-materials-discovery","display_name":"data-driven materials discovery","score":0.671999990940094}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7224441766738892},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.7028153538703918},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.6807760000228882},{"id":"https://openalex.org/C2777655017","wikidata":"https://www.wikidata.org/wiki/Q1501161","display_name":"Toolbox","level":2,"score":0.5899410843849182},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5887083411216736},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.572406530380249},{"id":"https://openalex.org/C66024118","wikidata":"https://www.wikidata.org/wiki/Q1122506","display_name":"Computational model","level":2,"score":0.48177430033683777},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.42035001516342163},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.12571370601654053},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.12083905935287476},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1002/wcms.1450","doi":"https://doi.org/10.1002/wcms.1450","is_oa":false,"landing_page_url":"https://doi.org/10.1002/wcms.1450","pdf_url":null,"source":{"id":"https://openalex.org/S136120998","display_name":"Wiley Interdisciplinary Reviews Computational Molecular Science","issn_l":"1759-0876","issn":["1759-0876","1759-0884"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-1","ki-jl-1","norway-1","poland-200","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"WIREs Computational Molecular Science","raw_type":"journal-article"},{"id":"pmh:oai:http://orca.cardiff.ac.uk:129553","doi":null,"is_oa":false,"landing_page_url":"https://orca.cardiff.ac.uk/id/eprint/129553/1/WIRES-BH.pdf","pdf_url":"https://orca.cardiff.ac.uk/id/eprint/129553/1/WIRES-BH.pdf","source":{"id":"https://openalex.org/S4306401195","display_name":"ORCA Online Research @Cardiff (Cardiff University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I79510175","host_organization_name":"Cardiff University","host_organization_lineage":["https://openalex.org/I79510175"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:https://orca.cardiff.ac.uk:129553","doi":null,"is_oa":false,"landing_page_url":"https://orca.cardiff.ac.uk/id/eprint/129553/1/WIRES-BH.pdf","pdf_url":"https://orca.cardiff.ac.uk/id/eprint/129553/1/WIRES-BH.pdf","source":{"id":"https://openalex.org/S4306401195","display_name":"ORCA Online Research @Cardiff (Cardiff University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I79510175","host_organization_name":"Cardiff University","host_organization_lineage":["https://openalex.org/I79510175"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Article"},{"id":"pmh:oai:generic.eprints.org:1140906","doi":null,"is_oa":false,"landing_page_url":"http://publications.eng.cam.ac.uk/1140906/","pdf_url":null,"source":{"id":"https://openalex.org/S4406922847","display_name":"Cambridge University Engineering Department Publications Database","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:http://orca-dev.cardiff.ac.uk:129553","doi":null,"is_oa":false,"landing_page_url":"https://orca.cardiff.ac.uk/id/eprint/129553/","pdf_url":null,"source":{"id":"https://openalex.org/S4306401195","display_name":"ORCA Online Research @Cardiff (Cardiff University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I79510175","host_organization_name":"Cardiff University","host_organization_lineage":["https://openalex.org/I79510175"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":198,"referenced_works":["https://openalex.org/W26088913","https://openalex.org/W1531674615","https://openalex.org/W1578876278","https://openalex.org/W1601294551","https://openalex.org/W1678620623","https://openalex.org/W1843396089","https://openalex.org/W1854019139","https://openalex.org/W1874730318","https://openalex.org/W1952558958","https://openalex.org/W1964896201","https://openalex.org/W1975147762","https://openalex.org/W1977149004","https://openalex.org/W1978183953","https://openalex.org/W1979198964","https://openalex.org/W1981929000","https://openalex.org/W1985175271","https://openalex.org/W1987190824","https://openalex.org/W1993765343","https://openalex.org/W1996327711","https://openalex.org/W1998232893","https://openalex.org/W1998260904","https://openalex.org/W2001108867","https://openalex.org/W2005821725","https://openalex.org/W2007395042","https://openalex.org/W2008489596","https://openalex.org/W2009525579","https://openalex.org/W2013640190","https://openalex.org/W2017447741","https://openalex.org/W2019465613","https://openalex.org/W2023818227","https://openalex.org/W2024796450","https://openalex.org/W2025444507","https://openalex.org/W2028545119","https://openalex.org/W2029413789","https://openalex.org/W2030198915","https://openalex.org/W2031560060","https://openalex.org/W2033206800","https://openalex.org/W2043353359","https://openalex.org/W2043578603","https://openalex.org/W2055526416","https://openalex.org/W2056456789","https://openalex.org/W2061179540","https://openalex.org/W2066556212","https://openalex.org/W2069826088","https://openalex.org/W2070947396","https://openalex.org/W2074616700","https://openalex.org/W2083734866","https://openalex.org/W2087347434","https://openalex.org/W2088014408","https://openalex.org/W2099471712","https://openalex.org/W2099654818","https://openalex.org/W2110377395","https://openalex.org/W2113242816","https://openalex.org/W2114416296","https://openalex.org/W2120145199","https://openalex.org/W2125148816","https://openalex.org/W2128420091","https://openalex.org/W2141610552","https://openalex.org/W2150826289","https://openalex.org/W2160439150","https://openalex.org/W2171074980","https://openalex.org/W2171268876","https://openalex.org/W2298992465","https://openalex.org/W2316535181","https://openalex.org/W2321522086","https://openalex.org/W2335753622","https://openalex.org/W2343106452","https://openalex.org/W2401396087","https://openalex.org/W2471149695","https://openalex.org/W2497764970","https://openalex.org/W2508390250","https://openalex.org/W2516925498","https://openalex.org/W2520937565","https://openalex.org/W2522819069","https://openalex.org/W2541404351","https://openalex.org/W2546965773","https://openalex.org/W2547447472","https://openalex.org/W2550170121","https://openalex.org/W2558395406","https://openalex.org/W2565212977","https://openalex.org/W2566315090","https://openalex.org/W2566573083","https://openalex.org/W2566642125","https://openalex.org/W2567534979","https://openalex.org/W2583276818","https://openalex.org/W2606759614","https://openalex.org/W2608651702","https://openalex.org/W2610427579","https://openalex.org/W2613659548","https://openalex.org/W2618694529","https://openalex.org/W2651986237","https://openalex.org/W2685808923","https://openalex.org/W2737003425","https://openalex.org/W2739564999","https://openalex.org/W2742014174","https://openalex.org/W2746340587","https://openalex.org/W2746613316","https://openalex.org/W2753709519","https://openalex.org/W2764267192","https://openalex.org/W2765459427","https://openalex.org/W2766736793","https://openalex.org/W2771914757","https://openalex.org/W2772676132","https://openalex.org/W2773642579","https://openalex.org/W2776220900","https://openalex.org/W2784795101","https://openalex.org/W2785813126","https://openalex.org/W2789074794","https://openalex.org/W2791137381","https://openalex.org/W2792137452","https://openalex.org/W2793945656","https://openalex.org/W2794270894","https://openalex.org/W2794279393","https://openalex.org/W2796265311","https://openalex.org/W2796549646","https://openalex.org/W2797753066","https://openalex.org/W2800301423","https://openalex.org/W2800885689","https://openalex.org/W2802951432","https://openalex.org/W2803281408","https://openalex.org/W2805002767","https://openalex.org/W2806351858","https://openalex.org/W2807065411","https://openalex.org/W2807929272","https://openalex.org/W2883544631","https://openalex.org/W2883578585","https://openalex.org/W2884817966","https://openalex.org/W2888056875","https://openalex.org/W2888281405","https://openalex.org/W2888296885","https://openalex.org/W2888580379","https://openalex.org/W2888987994","https://openalex.org/W2889026649","https://openalex.org/W2890131401","https://openalex.org/W2893880300","https://openalex.org/W2895329553","https://openalex.org/W2896998210","https://openalex.org/W2897369879","https://openalex.org/W2897803911","https://openalex.org/W2898844932","https://openalex.org/W2899133278","https://openalex.org/W2899765245","https://openalex.org/W2900225670","https://openalex.org/W2900694120","https://openalex.org/W2900832763","https://openalex.org/W2901367064","https://openalex.org/W2901777339","https://openalex.org/W2902494076","https://openalex.org/W2906746015","https://openalex.org/W2908138940","https://openalex.org/W2909251155","https://openalex.org/W2909509699","https://openalex.org/W2909889624","https://openalex.org/W2910261802","https://openalex.org/W2911205517","https://openalex.org/W2911264084","https://openalex.org/W2912690449","https://openalex.org/W2912829590","https://openalex.org/W2912934387","https://openalex.org/W2913351693","https://openalex.org/W2913376343","https://openalex.org/W2914498164","https://openalex.org/W2915275782","https://openalex.org/W2915745806","https://openalex.org/W2920341979","https://openalex.org/W2921630034","https://openalex.org/W2922801365","https://openalex.org/W2923101335","https://openalex.org/W2935787471","https://openalex.org/W2939645861","https://openalex.org/W2940452470","https://openalex.org/W2944577974","https://openalex.org/W2945253629","https://openalex.org/W2945801890","https://openalex.org/W2946412694","https://openalex.org/W2946680784","https://openalex.org/W2947223680","https://openalex.org/W2948249628","https://openalex.org/W2950189291","https://openalex.org/W2951523806","https://openalex.org/W2952126818","https://openalex.org/W2953864489","https://openalex.org/W2954088480","https://openalex.org/W2955558066","https://openalex.org/W2963158134","https://openalex.org/W2963518130","https://openalex.org/W2964087585","https://openalex.org/W2964884706","https://openalex.org/W2966218717","https://openalex.org/W2968923792","https://openalex.org/W2972219719","https://openalex.org/W2972741532","https://openalex.org/W3014091026","https://openalex.org/W3104005636","https://openalex.org/W3207342693","https://openalex.org/W4300402905","https://openalex.org/W4320013936","https://openalex.org/W6929876209"],"related_works":["https://openalex.org/W4417109844","https://openalex.org/W7214517317","https://openalex.org/W4308132317","https://openalex.org/W7167509456","https://openalex.org/W4382518132","https://openalex.org/W3015279935","https://openalex.org/W4387624615","https://openalex.org/W7204753876","https://openalex.org/W7166306401","https://openalex.org/W4402218386"],"abstract_inverted_index":{"Abstract":[0],"Artificial":[1],"intelligence":[2],"(AI)":[3],"has":[4],"been":[5,42],"referred":[6],"to":[7],"as":[8,15,120],"the":[9,29,33,47,70,84,109,165,174],"\u201cfourth":[10],"paradigm":[11],"of":[12,17,21,61,99,113,169],"science,\u201d":[13],"and":[14,63,90,102,129,149,167,173,185,191,198,204],"part":[16],"a":[18,162],"coherent":[19],"toolbox":[20],"data\u2010driven":[22],"approaches,":[23],"machine":[24],"learning":[25],"(ML)":[26],"dramatically":[27],"accelerates":[28],"computational":[30,56,71,116,156],"discoveries.":[31],"As":[32],"machinery":[34],"for":[35,152],"ML":[36,62,101,145,154,171],"algorithms":[37,104],"matures,":[38],"significant":[39],"advances":[40],"have":[41],"made":[43],"not":[44],"only":[45],"by":[46],"mainstream":[48],"AI":[49,114],"researchers,":[50],"but":[51],"also":[52],"those":[53],"work":[54],"in":[55,69,87,115],"materials":[57,72,117,157],"science.":[58],"The":[59,97,140],"number":[60],"artificial":[64],"neural":[65],"network":[66],"(ANN)":[67],"applications":[68,112,146],"science":[73,118,158],"is":[74,181],"growing":[75],"at":[76],"an":[77],"astounding":[78],"rate.":[79],"This":[80,179],"perspective":[81],"briefly":[82],"reviews":[83],"state\u2010of\u2010the\u2010art":[85],"progress":[86],"some":[88],"supervised":[89],"unsupervised":[91],"methods":[92],"with":[93,155],"their":[94],"respective":[95],"applications.":[96],"characteristics":[98],"primary":[100],"ANN":[103],"are":[105,137,147,159,177],"first":[106],"described.":[107],"Then,":[108],"most":[110],"critical":[111],"such":[119],"empirical":[121],"interatomic":[122],"potential":[123],"development,":[124],"ML\u2010based":[125],"potential,":[126],"property":[127],"predictions,":[128],"molecular":[130],"discoveries":[131],"using":[132],"generative":[133],"adversarial":[134],"networks":[135],"(GAN)":[136],"comprehensively":[138],"reviewed.":[139],"central":[141],"ideas":[142],"underlying":[143],"these":[144],"discussed,":[148],"future":[150],"directions":[151],"integrating":[153],"given.":[160],"Finally,":[161],"discussion":[163],"on":[164],"applicability":[166],"limitations":[168],"current":[170],"techniques":[172],"remaining":[175],"challenges":[176],"summarized.":[178],"article":[180],"categorized":[182],"under:":[183],"Computer":[184,197,202],"Information":[186,199],"Science":[187,200],">":[188,193,201,207],"Chemoinformatics.":[189],"Structure":[190],"Mechanism":[192],"Computational":[194],"Materials":[195],"Science.":[196],"Algorithms":[203],"Programming.":[205],"Software":[206],"Molecular":[208],"Modeling.":[209]},"counts_by_year":[{"year":2026,"cited_by_count":30},{"year":2025,"cited_by_count":36},{"year":2024,"cited_by_count":27},{"year":2023,"cited_by_count":21},{"year":2022,"cited_by_count":17},{"year":2021,"cited_by_count":22},{"year":2020,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2019-12-05T00:00:00"}