{"id":"https://openalex.org/W1973266090","doi":"https://doi.org/10.1021/ci300417y","title":"How to Improve Docking Accuracy of AutoDock4.2: A Case Study Using Different Electrostatic Potentials","display_name":"How to Improve Docking Accuracy of AutoDock4.2: A Case Study Using Different Electrostatic Potentials","publication_year":2012,"publication_date":"2012-12-17","ids":{"openalex":"https://openalex.org/W1973266090","doi":"https://doi.org/10.1021/ci300417y","mag":"1973266090","pmid":"https://pubmed.ncbi.nlm.nih.gov/23244516"},"language":"en","primary_location":{"id":"doi:10.1021/ci300417y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300417y","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/A5038166418","display_name":"Xuben Hou","orcid":"https://orcid.org/0000-0002-8346-9001"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xuben Hou","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074773090","display_name":"Jintong Du","orcid":null},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jintong Du","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100409987","display_name":"Jian Zhang","orcid":"https://orcid.org/0000-0002-6558-791X"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jian Zhang","raw_affiliation_strings":["Department of Pathophysiology,\rKey Laboratory of Cell Differentiation and Apoptosis (MOE), Shanghai Jiao-Tong University School of Medicine (SJTU-SM), Shanghai, 200025, China","Department of Pathophysiology,#R#Key Laboratory of Cell Differentiation and Apoptosis (MOE), Shanghai Jiao-Tong University School of Medicine (SJTU-SM), Shanghai, 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Pathophysiology,\rKey Laboratory of Cell Differentiation and Apoptosis (MOE), Shanghai Jiao-Tong University School of Medicine (SJTU-SM), Shanghai, 200025, China","institution_ids":["https://openalex.org/I183067930"]},{"raw_affiliation_string":"Department of Pathophysiology,#R#Key Laboratory of Cell Differentiation and Apoptosis (MOE), Shanghai Jiao-Tong University School of Medicine (SJTU-SM), Shanghai, 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064491215","display_name":"L\u00fcpei Du","orcid":"https://orcid.org/0000-0003-0531-8985"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lupei Du","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013861294","display_name":"Hao Fang","orcid":"https://orcid.org/0000-0002-2879-5146"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hao Fang","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5032790556","display_name":"Minyong Li","orcid":"https://orcid.org/0000-0003-3276-4921"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Minyong Li","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rKey Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]},{"raw_affiliation_string":"Department#R#of Medicinal Chemistry,#R#Key Laboratory of Chemical Biology (MOE), School of Pharmacy, Shandong University, Jinan, Shandong 250012, China","institution_ids":["https://openalex.org/I154099455"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5038166418"],"corresponding_institution_ids":["https://openalex.org/I154099455"],"apc_list":null,"apc_paid":null,"fwci":6.9118,"has_fulltext":false,"cited_by_count":131,"citation_normalized_percentile":{"value":0.97322228,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"53","issue":"1","first_page":"188","last_page":"200"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T10274","display_name":"Synthesis and biological activity","score":0.9886999726295471,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.9872999787330627,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"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/autodock","display_name":"AutoDock","score":0.7917556762695312},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7718403339385986},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.7296915054321289},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5731422901153564},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5602641701698303},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5322513580322266},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4947218596935272},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.42514508962631226},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.35721075534820557},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.3072699308395386},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.24145448207855225}],"concepts":[{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.7917556762695312},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7718403339385986},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7296915054321289},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5731422901153564},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5602641701698303},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5322513580322266},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4947218596935272},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.42514508962631226},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.35721075534820557},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3072699308395386},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.24145448207855225},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci300417y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300417y","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:23244516","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23244516","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":[{"score":0.8999999761581421,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1568206782","https://openalex.org/W1964958542","https://openalex.org/W1967081738","https://openalex.org/W1970658820","https://openalex.org/W1974809008","https://openalex.org/W1980075189","https://openalex.org/W1985588649","https://openalex.org/W1993046136","https://openalex.org/W2008517160","https://openalex.org/W2009423060","https://openalex.org/W2015290017","https://openalex.org/W2033178559","https://openalex.org/W2037535298","https://openalex.org/W2040496005","https://openalex.org/W2046218546","https://openalex.org/W2050456292","https://openalex.org/W2050992060","https://openalex.org/W2051163038","https://openalex.org/W2052030759","https://openalex.org/W2056179306","https://openalex.org/W2058748307","https://openalex.org/W2061303388","https://openalex.org/W2063535987","https://openalex.org/W2067455153","https://openalex.org/W2073042640","https://openalex.org/W2075673943","https://openalex.org/W2078661821","https://openalex.org/W2079391392","https://openalex.org/W2091111431","https://openalex.org/W2091734240","https://openalex.org/W2103300124","https://openalex.org/W2105668062","https://openalex.org/W2107506448","https://openalex.org/W2115318272","https://openalex.org/W2120898782","https://openalex.org/W2121853844","https://openalex.org/W2129556489","https://openalex.org/W2132629607","https://openalex.org/W2133712572","https://openalex.org/W2133773344","https://openalex.org/W2142919646","https://openalex.org/W2145682943","https://openalex.org/W2147421370","https://openalex.org/W2152964937","https://openalex.org/W2158534713","https://openalex.org/W2160916136","https://openalex.org/W2162220273","https://openalex.org/W2164886752","https://openalex.org/W2165526004","https://openalex.org/W2166114438","https://openalex.org/W2176516200"],"related_works":["https://openalex.org/W2336040088","https://openalex.org/W2136513242","https://openalex.org/W2058674645","https://openalex.org/W2057846043","https://openalex.org/W2766845742","https://openalex.org/W4385073511","https://openalex.org/W3199423294","https://openalex.org/W1594539819","https://openalex.org/W3113038228","https://openalex.org/W2614191518"],"abstract_inverted_index":{"Molecular":[0],"docking,":[1],"which":[2],"is":[3,38,58,138,153],"the":[4,18,53,62,75,113,134,139,149],"indispensable":[5],"emphasis":[6],"in":[7,142,155],"predicting":[8],"binding":[9,67],"conformations":[10],"and":[11,33,66,108],"energies":[12],"of":[13,55,74,77,83],"ligands":[14],"to":[15],"receptors,":[16],"constructs":[17],"high-throughput":[19],"virtual":[20,143,163],"screening":[21,144,164],"available.":[22],"So":[23],"far,":[24],"increasingly":[25],"numerous":[26],"molecular":[27,104,123],"docking":[28,42,81,124],"programs":[29],"have":[30],"been":[31,50,87],"released,":[32],"among":[34],"them,":[35],"AutoDock":[36,84],"4.2":[37,85],"a":[39],"widely":[40],"used":[41],"program":[43],"with":[44],"exceptional":[45],"accuracy.":[46],"It":[47],"has":[48,86],"heretofore":[49],"substantiated":[51],"that":[52,133],"calculation":[54],"partial":[56],"charge":[57,137,152],"very":[59],"fundamental":[60],"for":[61,121,145,165],"accurate":[63,162],"conformation":[64],"search":[65],"energy":[68],"estimation.":[69],"However,":[70],"no":[71],"systematic":[72],"comparison":[73],"significances":[76],"electrostatic":[78],"potentials":[79],"on":[80],"accuracy":[82],"determined.":[88],"In":[89],"this":[90],"paper,":[91],"nine":[92],"different":[93],"charge-assigning":[94],"methods,":[95],"including":[96],"AM1-BCC,":[97],"Del-Re,":[98],"formal,":[99],"Gasteiger-H\u00fcckel,":[100],"Gasteiger-Marsili,":[101],"H\u00fcckel,":[102],"Merck":[103],"force":[105],"field":[106],"(MMFF),":[107],"Pullman,":[109],"as":[110,112,159,161],"well":[111,160],"ab":[114],"initio":[115],"Hartree-Fock":[116],"charge,":[117],"were":[118],"sufficiently":[119],"explored":[120],"their":[122],"performance":[125],"by":[126],"using":[127],"AutoDock4.2.":[128],"The":[129],"results":[130],"clearly":[131],"demonstrated":[132],"empirical":[135],"Gasteiger-H\u00fcckel":[136],"most":[140],"applicable":[141],"large":[146],"database;":[147],"meanwhile,":[148],"semiempirical":[150],"AM1-BCC":[151],"practicable":[154],"lead":[156],"compound":[157],"optimization":[158],"small":[166],"databases.":[167]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":17},{"year":2024,"cited_by_count":21},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":14},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":8},{"year":2015,"cited_by_count":11},{"year":2014,"cited_by_count":7},{"year":2013,"cited_by_count":2}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}
