{"id":"https://openalex.org/W4240070495","doi":"https://doi.org/10.1007/978-94-007-6169-8_37-3","title":"Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment","display_name":"Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment","publication_year":2016,"publication_date":"2016-01-01","ids":{"openalex":"https://openalex.org/W4240070495","doi":"https://doi.org/10.1007/978-94-007-6169-8_37-3"},"language":"en","primary_location":{"id":"doi:10.1007/978-94-007-6169-8_37-3","doi":"https://doi.org/10.1007/978-94-007-6169-8_37-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-94-007-6169-8_37-3","pdf_url":null,"source":{"id":"https://openalex.org/S4306463937","display_name":"Springer eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310319965","host_organization_name":"Springer Nature","host_organization_lineage":["https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Nature"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Handbook of Computational Chemistry","raw_type":"book-chapter"},"volume":{"id":"https://openalex.org/W2799182699","display_name":"Handbook of Computational Chemistry"},"type":"book-chapter","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/A5101738138","display_name":"Alexander Golbraikh","orcid":"https://orcid.org/0000-0003-1711-7953","observed_orcids":["https://orcid.org/0000-0003-1711-7953"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alexander Golbraikh","raw_affiliation_strings":["Division of Medicinal Chemistry and Natural Products, UNC Eshelman School of Pharmacy, University of North Carolina, CB # 7568 Beard Hall, Chapel Hill, NC, 27599, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Medicinal Chemistry and Natural Products, UNC Eshelman School of Pharmacy, University of North Carolina, CB # 7568 Beard Hall, Chapel Hill, NC, 27599, USA","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087601019","display_name":"Xiang S. Wang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I137853757","display_name":"Howard University","ror":"https://ror.org/05gt1vc06","country_code":"US","type":"education","lineage":["https://openalex.org/I137853757"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xiang S. Wang","raw_affiliation_strings":["Howard University, College of Pharmacy, 2300 4th Street, NW, Washington, DC, 20059, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Howard University, College of Pharmacy, 2300 4th Street, NW, Washington, DC, 20059, USA","institution_ids":["https://openalex.org/I137853757"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026329292","display_name":"Hao Zhu","orcid":"https://orcid.org/0000-0002-3559-6129","observed_orcids":["https://orcid.org/0000-0002-3559-6129"]},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Hao Zhu","raw_affiliation_strings":["Chemistry Department, Rutgers University, Business & Science Building, 227 Penn Street, Camden, NJ, 08102, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Rutgers University, Business & Science Building, 227 Penn Street, Camden, NJ, 08102, USA","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078536199","display_name":"Alexander Tropsha","orcid":"https://orcid.org/0000-0003-3802-8896","observed_orcids":["https://orcid.org/0000-0003-3802-8896"]},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Alexander Tropsha","raw_affiliation_strings":["Division of Medicinal Chemistry and Natural Products, UNC Eshelman School of Pharmacy, University of North Carolina, CB # 7568 Beard Hall, Chapel Hill, NC, 27599, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Medicinal Chemistry and Natural Products, UNC Eshelman School of Pharmacy, University of North Carolina, CB # 7568 Beard Hall, Chapel Hill, NC, 27599, USA","institution_ids":["https://openalex.org/I114027177"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5078536199"],"corresponding_institution_ids":["https://openalex.org/I114027177"],"apc_list":null,"apc_paid":null,"fwci":1.702,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.8928277,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"48"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.0,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/qsar-model-validation","display_name":"QSAR model validation","score":0.8600000143051147},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.7829999923706055},{"id":"https://openalex.org/keywords/hit-identification","display_name":"hit identification","score":0.6589999794960022},{"id":"https://openalex.org/keywords/lead-optimization","display_name":"lead optimization","score":0.7720000147819519},{"id":"https://openalex.org/keywords/chemical-risk-assessment","display_name":"chemical risk assessment","score":0.9330000281333923}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8582421541213989},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.581798791885376},{"id":"https://openalex.org/C12174686","wikidata":"https://www.wikidata.org/wiki/Q1058438","display_name":"Risk assessment","level":2,"score":0.43201541900634766},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.37037816643714905},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.23231443762779236},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.1360217034816742},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.08850950002670288},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-94-007-6169-8_37-3","doi":"https://doi.org/10.1007/978-94-007-6169-8_37-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-94-007-6169-8_37-3","pdf_url":null,"source":{"id":"https://openalex.org/S4306463937","display_name":"Springer eBooks","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310319965","host_organization_name":"Springer Nature","host_organization_lineage":["https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Nature"],"type":"ebook platform"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Handbook of Computational Chemistry","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":176,"referenced_works":["https://openalex.org/W17944005","https://openalex.org/W85350352","https://openalex.org/W128607844","https://openalex.org/W167016754","https://openalex.org/W560846839","https://openalex.org/W595737188","https://openalex.org/W655356045","https://openalex.org/W1191514801","https://openalex.org/W1419557475","https://openalex.org/W1487258982","https://openalex.org/W1490698229","https://openalex.org/W1496663395","https://openalex.org/W1510223697","https://openalex.org/W1531097457","https://openalex.org/W1535188141","https://openalex.org/W1540105270","https://openalex.org/W1545231783","https://openalex.org/W1547923502","https://openalex.org/W1564102867","https://openalex.org/W1571439140","https://openalex.org/W1640748652","https://openalex.org/W1895993106","https://openalex.org/W1963608821","https://openalex.org/W1964357740","https://openalex.org/W1968350258","https://openalex.org/W1969882868","https://openalex.org/W1974778190","https://openalex.org/W1975875826","https://openalex.org/W1977573154","https://openalex.org/W1987301248","https://openalex.org/W1989893427","https://openalex.org/W1990073099","https://openalex.org/W1990650174","https://openalex.org/W1990768268","https://openalex.org/W1990923714","https://openalex.org/W1991537916","https://openalex.org/W1992229282","https://openalex.org/W1999531440","https://openalex.org/W2000902592","https://openalex.org/W2001638946","https://openalex.org/W2002097322","https://openalex.org/W2002503643","https://openalex.org/W2002988359","https://openalex.org/W2007344527","https://openalex.org/W2010524461","https://openalex.org/W2012133139","https://openalex.org/W2012839952","https://openalex.org/W2015558379","https://openalex.org/W2015782772","https://openalex.org/W2016610112","https://openalex.org/W2019543926","https://openalex.org/W2019657322","https://openalex.org/W2021748110","https://openalex.org/W2025089204","https://openalex.org/W2025556769","https://openalex.org/W2025649629","https://openalex.org/W2027815353","https://openalex.org/W2030567092","https://openalex.org/W2031962255","https://openalex.org/W2034857413","https://openalex.org/W2037195365","https://openalex.org/W2039340637","https://openalex.org/W2039609876","https://openalex.org/W2039774147","https://openalex.org/W2042555336","https://openalex.org/W2043990744","https://openalex.org/W2047399377","https://openalex.org/W2047709056","https://openalex.org/W2048611698","https://openalex.org/W2050564499","https://openalex.org/W2052396986","https://openalex.org/W2053549825","https://openalex.org/W2054406104","https://openalex.org/W2054716083","https://openalex.org/W2055610345","https://openalex.org/W2056593372","https://openalex.org/W2057069496","https://openalex.org/W2057433555","https://openalex.org/W2058220696","https://openalex.org/W2058915131","https://openalex.org/W2059504929","https://openalex.org/W2061139820","https://openalex.org/W2061481072","https://openalex.org/W2061611346","https://openalex.org/W2062427002","https://openalex.org/W2065457701","https://openalex.org/W2066607517","https://openalex.org/W2067475982","https://openalex.org/W2067642251","https://openalex.org/W2067885219","https://openalex.org/W2067943075","https://openalex.org/W2069499971","https://openalex.org/W2071426889","https://openalex.org/W2073503722","https://openalex.org/W2076448934","https://openalex.org/W2078556671","https://openalex.org/W2079472461","https://openalex.org/W2081487285","https://openalex.org/W2081659180","https://openalex.org/W2083989357","https://openalex.org/W2085278372","https://openalex.org/W2087566897","https://openalex.org/W2090288698","https://openalex.org/W2091357784","https://openalex.org/W2094189642","https://openalex.org/W2095532377","https://openalex.org/W2098524560","https://openalex.org/W2099538400","https://openalex.org/W2099720334","https://openalex.org/W2103084538","https://openalex.org/W2103742120","https://openalex.org/W2111078532","https://openalex.org/W2112058534","https://openalex.org/W2112125766","https://openalex.org/W2116702209","https://openalex.org/W2118741961","https://openalex.org/W2119191234","https://openalex.org/W2122025333","https://openalex.org/W2123676318","https://openalex.org/W2124811637","https://openalex.org/W2125055259","https://openalex.org/W2126954455","https://openalex.org/W2128879247","https://openalex.org/W2133068337","https://openalex.org/W2133857659","https://openalex.org/W2138092501","https://openalex.org/W2139212933","https://openalex.org/W2140489263","https://openalex.org/W2141500897","https://openalex.org/W2142085049","https://openalex.org/W2142827986","https://openalex.org/W2143645910","https://openalex.org/W2144486134","https://openalex.org/W2147598382","https://openalex.org/W2148009427","https://openalex.org/W2151429860","https://openalex.org/W2151910430","https://openalex.org/W2153096894","https://openalex.org/W2155763538","https://openalex.org/W2156909104","https://openalex.org/W2157851318","https://openalex.org/W2158712236","https://openalex.org/W2159119043","https://openalex.org/W2159887157","https://openalex.org/W2162358004","https://openalex.org/W2164041388","https://openalex.org/W2165902278","https://openalex.org/W2176516200","https://openalex.org/W2176744910","https://openalex.org/W2201240419","https://openalex.org/W2210058933","https://openalex.org/W2234529989","https://openalex.org/W2267281334","https://openalex.org/W2288009340","https://openalex.org/W2294467502","https://openalex.org/W2315578554","https://openalex.org/W2322262466","https://openalex.org/W2345372616","https://openalex.org/W2346905224","https://openalex.org/W2394108223","https://openalex.org/W2403850100","https://openalex.org/W2407586185","https://openalex.org/W2412746331","https://openalex.org/W2414870557","https://openalex.org/W2414949071","https://openalex.org/W2474464065","https://openalex.org/W2604200129","https://openalex.org/W2911964244","https://openalex.org/W2912934387","https://openalex.org/W2919115771","https://openalex.org/W2952213121","https://openalex.org/W4237568731","https://openalex.org/W4242934159","https://openalex.org/W4244971048","https://openalex.org/W4249984073","https://openalex.org/W7053126446"],"related_works":["https://openalex.org/W2058220696","https://openalex.org/W4385993360","https://openalex.org/W43690112","https://openalex.org/W7163634616","https://openalex.org/W2128245586","https://openalex.org/W2267281334","https://openalex.org/W2038703062","https://openalex.org/W4213141798","https://openalex.org/W7122513811","https://openalex.org/W2809360233"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2022-05-12T00:00:00"}
