{"id":"https://openalex.org/W2294932319","doi":"https://doi.org/10.1021/acs.jcim.5b00691","title":"AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization","display_name":"AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization","publication_year":2016,"publication_date":"2016-01-23","ids":{"openalex":"https://openalex.org/W2294932319","doi":"https://doi.org/10.1021/acs.jcim.5b00691","mag":"2294932319","pmid":"https://pubmed.ncbi.nlm.nih.gov/26799148"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00691","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00691","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5100443879","display_name":"Yan Li","orcid":"https://orcid.org/0000-0002-4694-4926"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112946","display_name":"Shanghai Institute of Organic Chemistry","ror":"https://ror.org/01y3hvq34","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112946"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yan Li","raw_affiliation_strings":["State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210112946","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042288612","display_name":"Zhixiong Zhao","orcid":"https://orcid.org/0000-0002-1876-1284"},"institutions":[{"id":"https://openalex.org/I4210112946","display_name":"Shanghai Institute of Organic Chemistry","ror":"https://ror.org/01y3hvq34","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112946"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhixiong Zhao","raw_affiliation_strings":["State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210112946","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100753007","display_name":"Zhihai Liu","orcid":"https://orcid.org/0000-0002-4527-8829"},"institutions":[{"id":"https://openalex.org/I4210112946","display_name":"Shanghai Institute of Organic Chemistry","ror":"https://ror.org/01y3hvq34","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112946"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhihai Liu","raw_affiliation_strings":["State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210112946","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086865996","display_name":"Minyi Su","orcid":"https://orcid.org/0000-0001-5830-059X"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112946","display_name":"Shanghai Institute of Organic Chemistry","ror":"https://ror.org/01y3hvq34","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112946"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Minyi Su","raw_affiliation_strings":["State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210112946","https://openalex.org/I19820366"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5016374232","display_name":"Renxiao Wang","orcid":"https://orcid.org/0000-0003-0485-0259"},"institutions":[{"id":"https://openalex.org/I111950717","display_name":"Macau University of Science and Technology","ror":"https://ror.org/03jqs2n27","country_code":"MO","type":"education","lineage":["https://openalex.org/I111950717","https://openalex.org/I4391767947"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112946","display_name":"Shanghai Institute of Organic Chemistry","ror":"https://ror.org/01y3hvq34","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112946"]}],"countries":["CN","MO"],"is_corresponding":false,"raw_author_name":"Renxiao Wang","raw_affiliation_strings":["State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","State\rKey Laboratory of Quality Research in Chinese Medicine, Macau Institute\rfor Applied Research in Medicine and Health, Macau University of Science and Technology, Macau, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State\rKey Laboratory of Bioorganic and Natural Products Chemistry, Collaborative\rInnovation Center of Chemistry for Life Sciences, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai 200032, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210112946","https://openalex.org/I19820366"]},{"raw_affiliation_string":"State\rKey Laboratory of Quality Research in Chinese Medicine, Macau Institute\rfor Applied Research in Medicine and Health, Macau University of Science and Technology, Macau, People\u2019s Republic of China","institution_ids":["https://openalex.org/I111950717"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5100443879"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210112946"],"apc_list":null,"apc_paid":null,"fwci":2.5157,"has_fulltext":false,"cited_by_count":26,"citation_normalized_percentile":{"value":0.89718174,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"56","issue":"2","first_page":"435","last_page":"453"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9929999709129333,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9904000163078308,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lead","display_name":"Lead (geology)","score":0.6781073808670044},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6730695366859436},{"id":"https://openalex.org/keywords/suite","display_name":"Suite","score":0.6427055597305298},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.552155077457428},{"id":"https://openalex.org/keywords/crossover","display_name":"Crossover","score":0.46896329522132874},{"id":"https://openalex.org/keywords/test-suite","display_name":"Test suite","score":0.41167527437210083},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.35879087448120117},{"id":"https://openalex.org/keywords/test-case","display_name":"Test case","score":0.2364194691181183},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.1943785548210144},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.17191725969314575},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.1388545036315918}],"concepts":[{"id":"https://openalex.org/C2777093003","wikidata":"https://www.wikidata.org/wiki/Q6508345","display_name":"Lead (geology)","level":2,"score":0.6781073808670044},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6730695366859436},{"id":"https://openalex.org/C79581498","wikidata":"https://www.wikidata.org/wiki/Q1367530","display_name":"Suite","level":2,"score":0.6427055597305298},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.552155077457428},{"id":"https://openalex.org/C122507166","wikidata":"https://www.wikidata.org/wiki/Q628906","display_name":"Crossover","level":2,"score":0.46896329522132874},{"id":"https://openalex.org/C151552104","wikidata":"https://www.wikidata.org/wiki/Q7705809","display_name":"Test suite","level":4,"score":0.41167527437210083},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.35879087448120117},{"id":"https://openalex.org/C128942645","wikidata":"https://www.wikidata.org/wiki/Q1568346","display_name":"Test case","level":3,"score":0.2364194691181183},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.1943785548210144},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.17191725969314575},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.1388545036315918},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.0},{"id":"https://openalex.org/C114793014","wikidata":"https://www.wikidata.org/wiki/Q52109","display_name":"Geomorphology","level":1,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0},{"id":"https://openalex.org/C127313418","wikidata":"https://www.wikidata.org/wiki/Q1069","display_name":"Geology","level":0,"score":0.0},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.5b00691","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00691","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:26799148","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26799148","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","score":0.5,"display_name":"Industry, innovation and infrastructure"}],"awards":[{"id":"https://openalex.org/G1455813791","display_name":null,"funder_award_id":"21102168","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3462147863","display_name":null,"funder_award_id":"21072213","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G393653587","display_name":null,"funder_award_id":"81172984","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4852886146","display_name":null,"funder_award_id":"2012AA020308","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G5047156528","display_name":null,"funder_award_id":"81430083","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G517360776","display_name":null,"funder_award_id":"055/2013/A2","funder_id":"https://openalex.org/F4320323893","funder_display_name":"Fundo para o Desenvolvimento das Ci\u00eancias e da Tecnologia"}],"funders":[{"id":"https://openalex.org/F4320307105","display_name":"Amgen","ror":"https://ror.org/03g03ge92"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320323893","display_name":"Fundo para o Desenvolvimento das Ci\u00eancias e da Tecnologia","ror":"https://ror.org/05vna4324"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1509196567","https://openalex.org/W1964562756","https://openalex.org/W1968997369","https://openalex.org/W1969559577","https://openalex.org/W1977467384","https://openalex.org/W1978222579","https://openalex.org/W1986176168","https://openalex.org/W1988548997","https://openalex.org/W1988887810","https://openalex.org/W1989169986","https://openalex.org/W1989806335","https://openalex.org/W1991286793","https://openalex.org/W2002042437","https://openalex.org/W2002368219","https://openalex.org/W2005671628","https://openalex.org/W2011230643","https://openalex.org/W2012971387","https://openalex.org/W2017878232","https://openalex.org/W2018518196","https://openalex.org/W2018604207","https://openalex.org/W2028324792","https://openalex.org/W2041686943","https://openalex.org/W2050458179","https://openalex.org/W2052933929","https://openalex.org/W2060531713","https://openalex.org/W2061800084","https://openalex.org/W2064577951","https://openalex.org/W2068363924","https://openalex.org/W2078048835","https://openalex.org/W2078521274","https://openalex.org/W2078585784","https://openalex.org/W2090936831","https://openalex.org/W2114162221","https://openalex.org/W2133634779","https://openalex.org/W2134207765","https://openalex.org/W2135080928","https://openalex.org/W2135732933","https://openalex.org/W2142602210","https://openalex.org/W2143419487","https://openalex.org/W2146984355","https://openalex.org/W2161239029","https://openalex.org/W2322445737","https://openalex.org/W2396663079","https://openalex.org/W2914443241"],"related_works":["https://openalex.org/W2347477706","https://openalex.org/W1943663474","https://openalex.org/W4299389082","https://openalex.org/W2306830238","https://openalex.org/W2110294633","https://openalex.org/W1829715381","https://openalex.org/W1485837041","https://openalex.org/W3204955359","https://openalex.org/W2038379963","https://openalex.org/W4251258648"],"abstract_inverted_index":{"UNLABELLED:":[0],"In":[1,21,62],"structure-based":[2],"drug":[3],"design,":[4],"automated":[5],"de":[6,42],"novo":[7,43],"design":[8,44],"methods":[9],"are":[10,125],"helpful":[11],"tools":[12],"for":[13,153,161],"lead":[14,19,117],"discovery":[15],"as":[16,18],"well":[17],"optimization.":[20],"a":[22,40,87,100,150],"previous":[23],"study":[24,129],"(":[25],"J.":[26],"Chem.":[27],"Inf.":[28],"MODEL:":[29],"2011":[30],",":[31,33],"51":[32],"1474":[34],"-":[35],"1491":[36],")":[37],"we":[38,65],"reported":[39],"new":[41,84,133],"method,":[45],"namely,":[46,70],"Automatic":[47],"Tailoring":[48],"and":[49,135],"Transplanting":[50],"(AutoT&T).":[51],"It":[52],"overcomes":[53],"some":[54],"intrinsic":[55],"problems":[56],"in":[57,92,127],"conventional":[58],"fragment-based":[59],"buildup":[60],"methods.":[61],"this":[63,105,128],"study,":[64],"describe":[66],"an":[67],"upgraded":[68],"version,":[69],"AutoT&T2.":[71,120,139],"Structural":[72],"operations":[73],"conducted":[74],"by":[75,81,99],"AutoT&T2":[76,141,155],"have":[77],"been":[78,97],"largely":[79],"optimized":[80],"introducing":[82],"several":[83],"algorithms.":[85],"As":[86],"result,":[88],"its":[89],"overall":[90],"speed":[91],"multiround":[93],"optimization":[94],"jobs":[95],"has":[96],"improved":[98],"few":[101],"thousand":[102],"fold.":[103],"With":[104],"improvement,":[106],"it":[107],"is":[108,144,157],"now":[109],"practical":[110],"to":[111,146],"conduct":[112],"structural":[113],"crossover":[114],"among":[115],"multiple":[116],"molecules":[118],"using":[119],"Three":[121],"different":[122],"test":[123],"cases":[124],"described":[126],"that":[130],"demonstrate":[131],"the":[132,147],"features":[134],"versatile":[136],"applications":[137],"of":[138],"The":[140],"software":[142],"suite":[143],"available":[145],"public.":[148],"Besides,":[149],"Web":[151],"portal":[152],"running":[154],"online":[156],"provided":[158],"at":[159],"http://www.sioc-ccbg.ac.cn/software/att2":[160],"testing.":[162]},"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":5},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2}],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2016-06-24T00:00:00"}