Publication Information

{'id': 'https://openalex.org/W298993012', 'doi': None, 'title': 'Molecular similarity and reactivity : from quantum chemical to phenomenological approaches', 'display_name': 'Molecular similarity and reactivity : from quantum chemical to phenomenological approaches', 'publication_year': 1995, 'publication_date': '1995-01-01', 'ids': {'openalex': 'https://openalex.org/W298993012', 'mag': '298993012'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://ci.nii.ac.jp/ncid/BA2560025X', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306474284', 'display_name': 'Kluwer Academic eBooks', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'ebook platform'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'book', 'type_crossref': 'book', 'indexed_in': [], '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/A5015514236', 'display_name': 'Ramon Carbó‐Dorca', 'orcid': 'https://orcid.org/0000-0002-9219-0686'}, 'institutions': [], 'countries': [], 'is_corresponding': True, 'raw_author_name': 'Ramón Carbó', 'raw_affiliation_strings': [], 'affiliations': []}], 'institution_assertions': [], 'countries_distinct_count': 0, 'institutions_distinct_count': 0, 'corresponding_author_ids': ['https://openalex.org/A5015514236'], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 4.566, 'has_fulltext': False, 'cited_by_count': 109, 'citation_normalized_percentile': {'value': 0.788194, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 96, 'max': 97}, 'biblio': {'volume': None, 'issue': None, 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Drug Discovery Methods', 'score': 0.9975, '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': 0.9975, '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/T12327', 'display_name': 'Various Chemistry Research Topics', 'score': 0.9827, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical 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/T12748', 'display_name': 'Molecular spectroscopy and chirality', 'score': 0.9809, '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/similarity', 'display_name': 'Similarity (geometry)', 'score': 0.6265692}, {'id': 'https://openalex.org/keywords/molecular-graph', 'display_name': 'Molecular graph', 'score': 0.5924845}, {'id': 'https://openalex.org/keywords/molecular-descriptor', 'display_name': 'Molecular descriptor', 'score': 0.5747568}, {'id': 'https://openalex.org/keywords/quantum-chemistry', 'display_name': 'Quantum Chemistry', 'score': 0.55822843}, {'id': 'https://openalex.org/keywords/molecular-geometry', 'display_name': 'Molecular geometry', 'score': 0.4661046}, {'id': 'https://openalex.org/keywords/chemical-similarity', 'display_name': 'Chemical similarity', 'score': 0.44004577}], 'concepts': [{'id': 'https://openalex.org/C103278499', 'wikidata': 'https://www.wikidata.org/wiki/Q254465', 'display_name': 'Similarity (geometry)', 'level': 3, 'score': 0.6265692}, {'id': 'https://openalex.org/C2780022179', 'wikidata': 'https://www.wikidata.org/wiki/Q1986794', 'display_name': 'Molecular graph', 'level': 3, 'score': 0.5924845}, {'id': 'https://openalex.org/C164923092', 'wikidata': 'https://www.wikidata.org/wiki/Q3705921', 'display_name': 'Molecular descriptor', 'level': 3, 'score': 0.5747568}, {'id': 'https://openalex.org/C22994065', 'wikidata': 'https://www.wikidata.org/wiki/Q188403', 'display_name': 'Quantum chemistry', 'level': 4, 'score': 0.55822843}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.5336028}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.49846172}, {'id': 'https://openalex.org/C155860418', 'wikidata': 'https://www.wikidata.org/wiki/Q863695', 'display_name': 'Bond length', 'level': 3, 'score': 0.47129428}, {'id': 'https://openalex.org/C193547582', 'wikidata': 'https://www.wikidata.org/wiki/Q911331', 'display_name': 'Molecular geometry', 'level': 3, 'score': 0.4661046}, {'id': 'https://openalex.org/C24259465', 'wikidata': 'https://www.wikidata.org/wiki/Q2272153', 'display_name': 'Chemical similarity', 'level': 3, 'score': 0.44004577}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.3529927}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.34335035}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.33954763}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.33666813}, {'id': 'https://openalex.org/C132525143', 'wikidata': 'https://www.wikidata.org/wiki/Q141488', 'display_name': 'Graph', 'level': 2, 'score': 0.32987875}, {'id': 'https://openalex.org/C139489369', 'wikidata': 'https://www.wikidata.org/wiki/Q770846', 'display_name': 'Structural similarity', 'level': 2, 'score': 0.31983194}, {'id': 'https://openalex.org/C114614502', 'wikidata': 'https://www.wikidata.org/wiki/Q76592', 'display_name': 'Combinatorics', 'level': 1, 'score': 0.2675801}, {'id': 'https://openalex.org/C164126121', 'wikidata': 'https://www.wikidata.org/wiki/Q766383', 'display_name': 'Quantitative structure–activity relationship', 'level': 2, 'score': 0.22727269}, {'id': 'https://openalex.org/C154945302', 'wikidata': 'https://www.wikidata.org/wiki/Q11660', 'display_name': 'Artificial intelligence', 'level': 1, 'score': 0.19042495}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.17502534}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.13012856}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C93275456', 'wikidata': 'https://www.wikidata.org/wiki/Q756449', 'display_name': 'Supramolecular chemistry', 'level': 3, 'score': 0.0}, {'id': 'https://openalex.org/C115961682', 'wikidata': 'https://www.wikidata.org/wiki/Q860623', 'display_name': 'Image (mathematics)', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://ci.nii.ac.jp/ncid/BA2560025X', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306474284', 'display_name': 'Kluwer Academic eBooks', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'ebook platform'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 0, 'referenced_works': [], 'related_works': ['https://openalex.org/W988663739', 'https://openalex.org/W69175378', 'https://openalex.org/W646901735', 'https://openalex.org/W622493998', 'https://openalex.org/W2492071349', 'https://openalex.org/W2147603799', 'https://openalex.org/W2110115173', 'https://openalex.org/W2090069426', 'https://openalex.org/W2087059422', 'https://openalex.org/W2085909738', 'https://openalex.org/W2068043974', 'https://openalex.org/W2064957595', 'https://openalex.org/W2039322865', 'https://openalex.org/W2028393501', 'https://openalex.org/W2023995381', 'https://openalex.org/W1998575348', 'https://openalex.org/W1972584430', 'https://openalex.org/W1966309719', 'https://openalex.org/W1605923270', 'https://openalex.org/W1538011504'], 'abstract_inverted_index': {'Section': [0, 54, 151], 'A:': [1], 'Quantum': [2], 'Chemical': [3], 'Foundation.': [4], 'Theoretical': [5], 'foundation': [6], 'of': [7, 39, 62, 83, 98, 130, 133, 142, 147, 175, 183, 200, 209, 215, 226, 239], 'quantum': [8, 40, 63], 'molecular': [9, 41, 64, 84, 227, 240], 'similarity': [10, 16, 25, 42, 65, 85, 96, 121, 203, 233, 241], 'R.': [11, 52, 79, 236], 'Carbo,': [12], 'E.': [13, 48], 'Besalu.': [14], 'Molecular': [15, 24, 120], 'and': [17, 60, 140, 144, 156, 188, 220, 234], 'momentum': [18], 'space': [19], 'D.L.': [20], 'Cooper,': [21], 'N.L.': [22], 'Allan.': [23], 'measures': [26, 43, 66], 'for': [27, 35, 94], 'assessing': [28], 'reactivity': [29], 'P.G.': [30], 'Mezey.': [31], 'Electron': [32], 'density': [33], 'approximations': [34], 'the': [36, 99, 103, 176, 198, 210], 'rapid': [37], 'evaluation': [38], 'J.': [44, 73], 'Mestres,': [45, 74], 'M.': [46, 50, 75, 77], 'Sola,': [47, 76], 'Besalu,': [49], 'Duran,': [51, 78], 'Carbo.': [53, 80], 'B:': [55], 'Computational': [56], 'Methods.': [57], 'General': [58], 'suggestions': [59], 'applications': [61], 'from': [67], 'ab': [68], 'initio': [69], 'fitted': [70], 'electron': [71], 'densities': [72], 'Quantitative': [81], 'measurement': [82], 'using': [86, 185, 242], 'shape': [87], 'descriptors': [88], 'R.P.': [89], 'Bywater.': [90], 'PROTEP:': [91], 'a': [92, 181, 224], 'program': [93], 'graph-theoretical': [95], 'searching': [97], '3-D': [100, 119], 'structures': [101], 'in': [102, 123, 137, 158, 168], 'proterin': [104], 'data': [105], 'bank': [106], 'P.J.': [107], 'Artymiuk,': [108], 'H.M.': [109], 'Grindley,': [110], 'A.B.': [111], 'MacKenzie,': [112], 'D.W.': [113], 'Rice,': [114], 'E.C.': [115], 'Ujah,': [116], 'P.': [117], 'Willett.': [118], 'modelling': [122], 'computational': [124], 'drug': [125], 'design': [126], 'D.C.': [127], 'Rohrer.': [128], 'Application': [129], 'adaptative': [131], 'mixture': [132], 'local': [134], 'neural': [135], 'networks': [136], 'chemistry.': [138], 'Prediction': [139], 'classification': [141], 'resonance': [143], 'inductive': [145], 'effects': [146], 'substituents': [148], 'V.': [149], 'Kvasnicka.': [150], 'C:': [152], 'Phenomenological': [153], 'Approaches.': [154], 'Similarity': [155], 'analogy': [157], 'chemistry': [159, 169], 'D.': [160], 'Rouvray.': [161], 'Graph': [162], 'theoretical': [163], 'approach': [164], 'to': [165, 180], 'structural': [166], 'changes': [167], 'J.-E.': [170], 'Dubois,': [171], 'G.': [172, 206], 'Sicouri.': [173], 'Detection': [174], 'largest': [177], 'patterns': [178], 'common': [179], 'set': [182], 'molecules,': [184], '2D': [186], 'graphs': [187], '3D': [189], 'skeletons': [190], 'D.M.': [191], 'Bayada,': [192], 'A.P.': [193], 'Johnson.': [194], 'A': [195], 'proposal': [196], 'towards': [197], 'identification': [199], 'substructure': [201], 'electronic': [202], 'B.': [204], 'Leoni,': [205], 'Sello.': [207], 'Study': [208], 'root': [211], 'mean': [212], 'square': [213], 'deviations': [214], 'bond': [216, 218], 'lengths,': [217], 'angles': [219, 222], 'torsional': [221], 'as': [223], 'measure': [225], 'similarities': [228], 'N.J.': [229], 'Smeyers,': [230], 'Y.G.': [231], 'Smeyers.Molecular': [232], 'LFER': [235], 'Ponec.': [237], 'Evaluation': [238], 'topological': [243], 'fragment': [244], 'spectra': [245], 'Y.': [246, 248], 'Takahashi,': [247], 'Ishiyama.': [249], 'Index.': [250]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W298993012', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2021, 'cited_by_count': 2}, {'year': 2020, 'cited_by_count': 2}, {'year': 2017, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 3}, {'year': 2014, 'cited_by_count': 2}, {'year': 2013, 'cited_by_count': 1}, {'year': 2012, 'cited_by_count': 2}], 'updated_date': '2024-12-13T07:01:27.500324', 'created_date': '2016-06-24'}