Publication Information

{'id': 'https://openalex.org/W2055287694', 'doi': 'https://doi.org/10.1080/10629360310001624015', 'title': 'Comparison of MLR, PLS and GA-MLR in QSAR analysis*', 'display_name': 'Comparison of MLR, PLS and GA-MLR in QSAR analysis*', 'publication_year': 2003, 'publication_date': '2003-10-01', 'ids': {'openalex': 'https://openalex.org/W2055287694', 'doi': 'https://doi.org/10.1080/10629360310001624015', 'mag': '2055287694', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/14758986'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1080/10629360310001624015', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S56681374', 'display_name': 'SAR and QSAR in environmental research', 'issn_l': '1026-776X', 'issn': ['1026-776X', '1029-046X', '1062-936X'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320547', 'host_organization_name': 'Taylor & Francis', 'host_organization_lineage': ['https://openalex.org/P4310320547'], 'host_organization_lineage_names': ['Taylor & Francis'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5030109615', 'display_name': 'Shailendra K. Saxena', 'orcid': 'https://orcid.org/0000-0003-2856-4185'}, 'institutions': [{'id': 'https://openalex.org/I185249246', 'display_name': 'Central Drug Research Institute', 'ror': 'https://ror.org/04t8qjg16', 'country_code': 'IN', 'type': 'facility', 'lineage': ['https://openalex.org/I185249246', 'https://openalex.org/I2799351866', 'https://openalex.org/I4210134808', 'https://openalex.org/I66760702']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'A.K. Saxena', 'raw_affiliation_strings': ['Medicinal Chemistry Division, Central Drug Research Institute, Chattan Manzil, P.O. Box 173, Lucknow 226001, India. [email protected]'], 'affiliations': [{'raw_affiliation_string': 'Medicinal Chemistry Division, Central Drug Research Institute, Chattan Manzil, P.O. Box 173, Lucknow 226001, India. [email protected]', 'institution_ids': ['https://openalex.org/I185249246']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5077326038', 'display_name': 'Philip Prathipati', 'orcid': 'https://orcid.org/0000-0002-7889-779X'}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'P. Prathipati', 'raw_affiliation_strings': [], 'affiliations': []}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 2.713, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 94, 'citation_normalized_percentile': {'value': 0.97916, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 95, 'max': 96}, 'biblio': {'volume': '14', 'issue': '5-6', 'first_page': '433', 'last_page': '445'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Drug Discovery Methods', 'score': 0.9999, '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': 0.9999, '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/T10908', 'display_name': 'Analytical Chemistry and Chromatography', 'score': 0.9975, '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'}}, {'id': 'https://openalex.org/T10836', 'display_name': 'Metabolomics and Mass Spectrometry Studies', 'score': 0.9933, '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'}}], 'keywords': [{'id': 'https://openalex.org/keywords/applicability-domain', 'display_name': 'Applicability domain', 'score': 0.8352359}, {'id': 'https://openalex.org/keywords/chemometrics', 'display_name': 'Chemometrics', 'score': 0.5637474}, {'id': 'https://openalex.org/keywords/molecular-descriptor', 'display_name': 'Molecular descriptor', 'score': 0.49097255}, {'id': 'https://openalex.org/keywords/cheminformatics', 'display_name': 'Cheminformatics', 'score': 0.45740086}], 'concepts': [{'id': 'https://openalex.org/C164126121', 'wikidata': 'https://www.wikidata.org/wiki/Q766383', 'display_name': 'Quantitative structure–activity relationship', 'level': 2, 'score': 0.96865785}, {'id': 'https://openalex.org/C107908354', 'wikidata': 'https://www.wikidata.org/wiki/Q4781456', 'display_name': 'Applicability domain', 'level': 3, 'score': 0.8352359}, {'id': 'https://openalex.org/C22354355', 'wikidata': 'https://www.wikidata.org/wiki/Q422009', 'display_name': 'Partial least squares regression', 'level': 2, 'score': 0.63816035}, {'id': 'https://openalex.org/C151304367', 'wikidata': 'https://www.wikidata.org/wiki/Q910067', 'display_name': 'Chemometrics', 'level': 2, 'score': 0.5637474}, {'id': 'https://openalex.org/C148483581', 'wikidata': 'https://www.wikidata.org/wiki/Q446488', 'display_name': 'Feature selection', 'level': 2, 'score': 0.53032464}, {'id': 'https://openalex.org/C119857082', 'wikidata': 'https://www.wikidata.org/wiki/Q2539', 'display_name': 'Machine learning', 'level': 1, 'score': 0.5053213}, {'id': 'https://openalex.org/C164923092', 'wikidata': 'https://www.wikidata.org/wiki/Q3705921', 'display_name': 'Molecular descriptor', 'level': 3, 'score': 0.49097255}, {'id': 'https://openalex.org/C154945302', 'wikidata': 'https://www.wikidata.org/wiki/Q11660', 'display_name': 'Artificial intelligence', 'level': 1, 'score': 0.46428835}, {'id': 'https://openalex.org/C48921125', 'wikidata': 'https://www.wikidata.org/wiki/Q10861030', 'display_name': 'Linear regression', 'level': 2, 'score': 0.463675}, {'id': 'https://openalex.org/C68762167', 'wikidata': 'https://www.wikidata.org/wiki/Q910164', 'display_name': 'Cheminformatics', 'level': 2, 'score': 0.45740086}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.4559943}, {'id': 'https://openalex.org/C124101348', 'wikidata': 'https://www.wikidata.org/wiki/Q172491', 'display_name': 'Data mining', 'level': 1, 'score': 0.39665094}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.14573804}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.08391139}], 'mesh': [{'descriptor_ui': 'D015195', 'descriptor_name': 'Drug Design', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D020407', 'descriptor_name': 'Internet', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D008962', 'descriptor_name': 'Models, Theoretical', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D013223', 'descriptor_name': 'Statistics as Topic', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D000316', 'descriptor_name': 'Adrenergic alpha-Agonists', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D000316', 'descriptor_name': 'Adrenergic alpha-Agonists', 'qualifier_ui': 'Q000494', 'qualifier_name': 'pharmacology', 'is_major_topic': False}, {'descriptor_ui': 'D000318', 'descriptor_name': 'Adrenergic beta-Agonists', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D000318', 'descriptor_name': 'Adrenergic beta-Agonists', 'qualifier_ui': 'Q000494', 'qualifier_name': 'pharmacology', 'is_major_topic': False}, {'descriptor_ui': 'D000465', 'descriptor_name': 'Algorithms', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D021281', 'descriptor_name': 'Quantitative Structure-Activity Relationship', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012984', 'descriptor_name': 'Software', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1080/10629360310001624015', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S56681374', 'display_name': 'SAR and QSAR in environmental research', 'issn_l': '1026-776X', 'issn': ['1026-776X', '1029-046X', '1062-936X'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320547', 'host_organization_name': 'Taylor & Francis', 'host_organization_lineage': ['https://openalex.org/P4310320547'], 'host_organization_lineage_names': ['Taylor & Francis'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/14758986', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, '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': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'score': 0.44, 'id': 'https://metadata.un.org/sdg/17', 'display_name': 'Partnerships for the goals'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 41, 'referenced_works': ['https://openalex.org/W1503239137', 'https://openalex.org/W1607549418', 'https://openalex.org/W1916281890', 'https://openalex.org/W1989295284', 'https://openalex.org/W1991002818', 'https://openalex.org/W1995089537', 'https://openalex.org/W2002139280', 'https://openalex.org/W2002817195', 'https://openalex.org/W2003935594', 'https://openalex.org/W2005051528', 'https://openalex.org/W2008015196', 'https://openalex.org/W2015344249', 'https://openalex.org/W2015512327', 'https://openalex.org/W2015981295', 'https://openalex.org/W2019626197', 'https://openalex.org/W2019980219', 'https://openalex.org/W2023713567', 'https://openalex.org/W2024634150', 'https://openalex.org/W2025328282', 'https://openalex.org/W2055011092', 'https://openalex.org/W2063082171', 'https://openalex.org/W2079680681', 'https://openalex.org/W2087661061', 'https://openalex.org/W2123109304', 'https://openalex.org/W2146178879', 'https://openalex.org/W2155589073', 'https://openalex.org/W2156078621', 'https://openalex.org/W2158863190', 'https://openalex.org/W2162517024', 'https://openalex.org/W2399329993', 'https://openalex.org/W2592974517', 'https://openalex.org/W2904250082', 'https://openalex.org/W2949243165', 'https://openalex.org/W3008948231', 'https://openalex.org/W3011460294', 'https://openalex.org/W3023540311', 'https://openalex.org/W3146425672', 'https://openalex.org/W3644042', 'https://openalex.org/W4232421753', 'https://openalex.org/W4256511286', 'https://openalex.org/W4297924279'], 'related_works': ['https://openalex.org/W3187637292', 'https://openalex.org/W2336068299', 'https://openalex.org/W2325795844', 'https://openalex.org/W2288522085', 'https://openalex.org/W2152643333', 'https://openalex.org/W2122952160', 'https://openalex.org/W2098472602', 'https://openalex.org/W2055461258', 'https://openalex.org/W2055287694', 'https://openalex.org/W1801054344'], 'abstract_inverted_index': {'The': [0, 38], 'use': [1], 'of': [2, 19, 26, 40, 54, 58, 65, 70, 73, 135, 160, 169, 175, 186], 'the': [3, 13, 17, 24, 51, 68, 96, 133, 144, 170, 197], 'internet': [4], 'has': [5, 44, 192], 'evolved': [6], 'in': [7, 42, 46, 56, 82, 158, 180], 'quantitative': [8], 'structure-activity': [9], 'relationship': [10], '(QSAR)': [11], 'over': [12], 'past': [14], 'decade': [15], 'with': [16, 150], 'development': [18], 'web': [20], 'based': [21], 'activities': [22], 'like': [23], 'availability': [25, 69], 'numerous': [27], 'public': [28, 198], 'domain': [29, 199], 'software': [30, 200], 'tools': [31], 'for': [32, 49, 62, 184, 202, 209], 'descriptor': [33], 'calculation': [34], 'and': [35, 75, 85, 101, 121, 138, 163, 178, 189, 205], 'chemometric': [36], 'toolboxes.': [37], 'importance': [39], 'chemometrics': [41], 'QSAR': [43, 87, 110, 165, 182], 'accelerated': [45], 'recent': [47], 'years': [48], 'processing': [50], 'enormous': [52], 'amount': [53], 'information': [55], 'form': [57], 'predictive': [59, 86, 109, 162], 'mathematical': [60], 'models': [61, 111, 183], 'large': [63], 'datasets': [64, 185], 'molecules.': [66], 'With': [67], 'huge': [71], 'numbers': [72], 'physicochemical': [74], 'structural': [76], 'parameters,': [77], 'variable': [78, 136], 'selection': [79, 137], 'became': [80], 'crucial': [81], 'deriving': [83, 181], 'interpretable': [84, 164], 'models.': [88, 166], 'Among': [89], 'several': [90], 'approaches': [91], 'to': [92, 119, 132, 139], 'address': [93], 'this': [94], 'problem,': [95], 'principle': [97], 'component': [98], 'regression': [99, 153], '(PCR)': [100], 'partial': [102], 'least': [103], 'squares': [104], '(PLS)': [105], 'analyses': [106], 'provide': [107], 'highly': [108, 161], 'but': [112], 'being': [113], 'more': [114], 'abstract,': [115], 'they': [116], 'are': [117], 'difficult': [118], 'understand': [120], 'interpret.': [122], 'Genetic': [123], 'algorithm': [124], '(GA)': [125], 'is': [126], 'a': [127, 172], 'stochastic': [128], 'method': [129], 'well': [130], 'suited': [131], 'problem': [134], 'solve': [140], 'optimization': [141], 'problems.': [142], 'Consequently': [143], 'hybrid': [145], 'approach': [146], '(GA-MLR)': [147], 'combining': [148], 'GA': [149], 'multiple': [151], 'linear': [152], '(MLR)': [154], 'may': [155], 'be': [156], 'useful': [157], 'derivation': [159], 'In': [167], 'view': [168], 'above,': [171], 'comparative': [173], 'study': [174], 'stepwise-MLR,': [176], 'PLS': [177], 'GA-MLR': [179], 'alpha1-adrenoreceptor': [187], 'antagonists': [188], 'beta3-adrenoreceptor': [190], 'agonists': [191], 'been': [193], 'carried': [194], 'out': [195], 'using': [196], 'Dragon': [201], 'computing': [203], 'descriptors': [204], 'free': [206], 'Matlab': [207], 'codes': [208], 'data': [210], 'modeling.': [211]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2055287694', 'counts_by_year': [{'year': 2024, 'cited_by_count': 3}, {'year': 2023, 'cited_by_count': 9}, {'year': 2022, 'cited_by_count': 7}, {'year': 2021, 'cited_by_count': 11}, {'year': 2020, 'cited_by_count': 5}, {'year': 2019, 'cited_by_count': 5}, {'year': 2018, 'cited_by_count': 6}, {'year': 2017, 'cited_by_count': 3}, {'year': 2016, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 6}, {'year': 2014, 'cited_by_count': 4}, {'year': 2013, 'cited_by_count': 3}, {'year': 2012, 'cited_by_count': 2}], 'updated_date': '2024-12-10T08:19:21.794752', 'created_date': '2016-06-24'}