Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2914635984', 'doi': 'https://doi.org/10.1021/acs.jcim.8b00706', 'title': 'Shape-Based Generative Modeling for de Novo Drug Design', 'display_name': 'Shape-Based Generative Modeling for de Novo Drug Design', 'publication_year': 2019, 'publication_date': '2019-02-14', 'ids': {'openalex': 'https://openalex.org/W2914635984', 'doi': 'https://doi.org/10.1021/acs.jcim.8b00706', 'mag': '2914635984', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/30762364'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.jcim.8b00706', 'pdf_url': None, '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': 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/A5048906009', 'display_name': 'Miha Škalič', 'orcid': 'https://orcid.org/0000-0003-4143-4609'}, 'institutions': [{'id': 'https://openalex.org/I2801864671', 'display_name': 'Barcelona Biomedical Research Park', 'ror': 'https://ror.org/05sajct49', 'country_code': 'ES', 'type': 'facility', 'lineage': ['https://openalex.org/I2801864671']}, {'id': 'https://openalex.org/I170486558', 'display_name': 'Pompeu Fabra University', 'ror': 'https://ror.org/04n0g0b29', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I170486558']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'Miha Skalic', 'raw_affiliation_strings': ['Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain'], 'affiliations': [{'raw_affiliation_string': 'Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I2801864671', 'https://openalex.org/I170486558']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100700305', 'display_name': 'José Jiménez-Luna', 'orcid': 'https://orcid.org/0000-0002-5335-7834'}, 'institutions': [{'id': 'https://openalex.org/I2801864671', 'display_name': 'Barcelona Biomedical Research Park', 'ror': 'https://ror.org/05sajct49', 'country_code': 'ES', 'type': 'facility', 'lineage': ['https://openalex.org/I2801864671']}, {'id': 'https://openalex.org/I170486558', 'display_name': 'Pompeu Fabra University', 'ror': 'https://ror.org/04n0g0b29', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I170486558']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'José Jiménez', 'raw_affiliation_strings': ['Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain'], 'affiliations': [{'raw_affiliation_string': 'Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I2801864671', 'https://openalex.org/I170486558']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5069374388', 'display_name': 'Davide Sabbadin', 'orcid': 'https://orcid.org/0000-0003-1510-0904'}, 'institutions': [{'id': 'https://openalex.org/I2801864671', 'display_name': 'Barcelona Biomedical Research Park', 'ror': 'https://ror.org/05sajct49', 'country_code': 'ES', 'type': 'facility', 'lineage': ['https://openalex.org/I2801864671']}, {'id': 'https://openalex.org/I170486558', 'display_name': 'Pompeu Fabra University', 'ror': 'https://ror.org/04n0g0b29', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I170486558']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'Davide Sabbadin', 'raw_affiliation_strings': ['Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain'], 'affiliations': [{'raw_affiliation_string': 'Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I2801864671', 'https://openalex.org/I170486558']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5027026045', 'display_name': 'Gianni De Fabritiis', 'orcid': 'https://orcid.org/0000-0003-3913-4877'}, 'institutions': [{'id': 'https://openalex.org/I4210153560', 'display_name': 'Acellera (Spain)', 'ror': 'https://ror.org/051pfzb30', 'country_code': 'ES', 'type': 'company', 'lineage': ['https://openalex.org/I4210153560']}, {'id': 'https://openalex.org/I11932220', 'display_name': 'Institució Catalana de Recerca i Estudis Avançats', 'ror': 'https://ror.org/0371hy230', 'country_code': 'ES', 'type': 'nonprofit', 'lineage': ['https://openalex.org/I11932220']}, {'id': 'https://openalex.org/I2801864671', 'display_name': 'Barcelona Biomedical Research Park', 'ror': 'https://ror.org/05sajct49', 'country_code': 'ES', 'type': 'facility', 'lineage': ['https://openalex.org/I2801864671']}, {'id': 'https://openalex.org/I170486558', 'display_name': 'Pompeu Fabra University', 'ror': 'https://ror.org/04n0g0b29', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I170486558']}], 'countries': ['ES'], 'is_corresponding': True, 'raw_author_name': 'Gianni De Fabritiis', 'raw_affiliation_strings': ['Acellera, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain', 'Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain', 'Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010 Barcelona, Spain'], 'affiliations': [{'raw_affiliation_string': 'Acellera, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I4210153560', 'https://openalex.org/I2801864671']}, {'raw_affiliation_string': 'Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluis Companys 23, 08010 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I11932220']}, {'raw_affiliation_string': 'Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr Aiguader 88, 08003 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I2801864671', 'https://openalex.org/I170486558']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 4, 'corresponding_author_ids': ['https://openalex.org/A5027026045'], 'corresponding_institution_ids': ['https://openalex.org/I4210153560', 'https://openalex.org/I11932220', 'https://openalex.org/I2801864671', 'https://openalex.org/I170486558'], 'apc_list': None, 'apc_paid': None, 'fwci': 23.454, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 212, 'citation_normalized_percentile': {'value': 0.999885, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 99, 'max': 100}, 'biblio': {'volume': '59', 'issue': '3', 'first_page': '1205', 'last_page': '1214'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Drug Discovery Methods', 'score': 0.9974, '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': 0.9974, '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': 0.9859, '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/T12859', 'display_name': 'Cell Image Analysis Techniques', 'score': 0.9712, 'subfield': {'id': 'https://openalex.org/subfields/1304', 'display_name': 'Biophysics'}, '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/autoencoder', 'display_name': 'Autoencoder', 'score': 0.75061846}, {'id': 'https://openalex.org/keywords/representation', 'display_name': 'Representation', 'score': 0.59816825}, {'id': 'https://openalex.org/keywords/chemical-space', 'display_name': 'Chemical space', 'score': 0.5784263}, {'id': 'https://openalex.org/keywords/generative-model', 'display_name': 'Generative model', 'score': 0.52832735}, {'id': 'https://openalex.org/keywords/generative-design', 'display_name': 'Generative Design', 'score': 0.4964338}, {'id': 'https://openalex.org/keywords/sequence', 'display_name': 'Sequence (biology)', 'score': 0.44502002}], 'concepts': [{'id': 'https://openalex.org/C101738243', 'wikidata': 'https://www.wikidata.org/wiki/Q786435', 'display_name': 'Autoencoder', 'level': 3, 'score': 0.75061846}, {'id': 'https://openalex.org/C39890363', 'wikidata': 'https://www.wikidata.org/wiki/Q36108', 'display_name': 'Generative grammar', 'level': 2, 'score': 0.66963637}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.6435864}, {'id': 'https://openalex.org/C154945302', 'wikidata': 'https://www.wikidata.org/wiki/Q11660', 'display_name': 'Artificial intelligence', 'level': 1, 'score': 0.6195115}, {'id': 'https://openalex.org/C2776359362', 'wikidata': 'https://www.wikidata.org/wiki/Q2145286', 'display_name': 'Representation (politics)', 'level': 3, 'score': 0.59816825}, {'id': 'https://openalex.org/C43521106', 'wikidata': 'https://www.wikidata.org/wiki/Q2165493', 'display_name': 'Pipeline (software)', 'level': 2, 'score': 0.5942172}, {'id': 'https://openalex.org/C99726746', 'wikidata': 'https://www.wikidata.org/wiki/Q906396', 'display_name': 'Chemical space', 'level': 3, 'score': 0.5784263}, {'id': 'https://openalex.org/C167966045', 'wikidata': 'https://www.wikidata.org/wiki/Q5532625', 'display_name': 'Generative model', 'level': 3, 'score': 0.52832735}, {'id': 'https://openalex.org/C184408114', 'wikidata': 'https://www.wikidata.org/wiki/Q1502022', 'display_name': 'Generative Design', 'level': 3, 'score': 0.4964338}, {'id': 'https://openalex.org/C81363708', 'wikidata': 'https://www.wikidata.org/wiki/Q17084460', 'display_name': 'Convolutional neural network', 'level': 2, 'score': 0.44932044}, {'id': 'https://openalex.org/C2778112365', 'wikidata': 'https://www.wikidata.org/wiki/Q3511065', 'display_name': 'Sequence (biology)', 'level': 2, 'score': 0.44502002}, {'id': 'https://openalex.org/C153180895', 'wikidata': 'https://www.wikidata.org/wiki/Q7148389', 'display_name': 'Pattern recognition (psychology)', 'level': 2, 'score': 0.40339977}, {'id': 'https://openalex.org/C74187038', 'wikidata': 'https://www.wikidata.org/wiki/Q1418791', 'display_name': 'Drug discovery', 'level': 2, 'score': 0.35615313}, {'id': 'https://openalex.org/C119857082', 'wikidata': 'https://www.wikidata.org/wiki/Q2539', 'display_name': 'Machine learning', 'level': 1, 'score': 0.3522932}, {'id': 'https://openalex.org/C108583219', 'wikidata': 'https://www.wikidata.org/wiki/Q197536', 'display_name': 'Deep learning', 'level': 2, 'score': 0.31394744}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.1768784}, {'id': 'https://openalex.org/C60644358', 'wikidata': 'https://www.wikidata.org/wiki/Q128570', 'display_name': 'Bioinformatics', 'level': 1, 'score': 0.10986036}, {'id': 'https://openalex.org/C127413603', 'wikidata': 'https://www.wikidata.org/wiki/Q11023', 'display_name': 'Engineering', 'level': 0, 'score': 0.10870704}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.106230915}, {'id': 'https://openalex.org/C176217482', 'wikidata': 'https://www.wikidata.org/wiki/Q860554', 'display_name': 'Metric (unit)', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C21547014', 'wikidata': 'https://www.wikidata.org/wiki/Q1423657', 'display_name': 'Operations management', '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/C94625758', 'wikidata': 'https://www.wikidata.org/wiki/Q7163', 'display_name': 'Politics', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C17744445', 'wikidata': 'https://www.wikidata.org/wiki/Q36442', 'display_name': 'Political science', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C199539241', 'wikidata': 'https://www.wikidata.org/wiki/Q7748', 'display_name': 'Law', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C199360897', 'wikidata': 'https://www.wikidata.org/wiki/Q9143', 'display_name': 'Programming language', 'level': 1, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D000069550', 'descriptor_name': 'Machine Learning', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D004364', 'descriptor_name': 'Pharmaceutical Preparations', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D015195', 'descriptor_name': 'Drug Design', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D006860', 'descriptor_name': 'Hydrogen Bonding', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D057927', 'descriptor_name': 'Hydrophobic and Hydrophilic Interactions', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008958', 'descriptor_name': 'Models, Molecular', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008968', 'descriptor_name': 'Molecular Conformation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D015394', 'descriptor_name': 'Molecular Structure', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D004364', 'descriptor_name': 'Pharmaceutical Preparations', '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}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.jcim.8b00706', 'pdf_url': None, '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/30762364', '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': [{'display_name': 'Good health and well-being', 'id': 'https://metadata.un.org/sdg/3', 'score': 0.52}], 'grants': [{'funder': 'https://openalex.org/F4320321837', 'funder_display_name': 'Ministerio de Economía y Competitividad', 'award_id': 'BIO2017-82628-P'}, {'funder': 'https://openalex.org/F4320321837', 'funder_display_name': 'Ministerio de Economía y Competitividad', 'award_id': 'MDM-2014-0370'}, {'funder': 'https://openalex.org/F4320335322', 'funder_display_name': 'European Regional Development Fund', 'award_id': None}, {'funder': 'https://openalex.org/F4320337662', 'funder_display_name': 'H2020 Excellent Science', 'award_id': '675451'}], 'datasets': [], 'versions': [], 'referenced_works_count': 56, 'referenced_works': ['https://openalex.org/W1514535095', 'https://openalex.org/W1757990252', 'https://openalex.org/W1959608418', 'https://openalex.org/W1965555277', 'https://openalex.org/W1968319881', 'https://openalex.org/W2022476850', 'https://openalex.org/W2023818227', 'https://openalex.org/W2026480788', 'https://openalex.org/W2027065525', 'https://openalex.org/W2028629022', 'https://openalex.org/W2034549041', 'https://openalex.org/W2043509228', 'https://openalex.org/W2052933929', 'https://openalex.org/W2055888446', 'https://openalex.org/W2060531713', 'https://openalex.org/W2064675550', 'https://openalex.org/W2064963922', 'https://openalex.org/W2066273100', 'https://openalex.org/W2128983966', 'https://openalex.org/W2141303613', 'https://openalex.org/W2147421370', 'https://openalex.org/W2160592148', 'https://openalex.org/W2188365844', 'https://openalex.org/W2214665483', 'https://openalex.org/W2296686360', 'https://openalex.org/W2396663079', 'https://openalex.org/W2502949459', 'https://openalex.org/W2529996553', 'https://openalex.org/W2578240541', 'https://openalex.org/W2580919858', 'https://openalex.org/W2583907533', 'https://openalex.org/W2595840341', 'https://openalex.org/W2610148085', 'https://openalex.org/W2747592475', 'https://openalex.org/W2765224015', 'https://openalex.org/W2765811365', 'https://openalex.org/W2784213390', 'https://openalex.org/W2784920021', 'https://openalex.org/W2786722833', 'https://openalex.org/W2798613236', 'https://openalex.org/W2804078698', 'https://openalex.org/W2835515562', 'https://openalex.org/W2884441791', 'https://openalex.org/W2887447356', 'https://openalex.org/W2894601800', 'https://openalex.org/W2949382160', 'https://openalex.org/W2963073614', 'https://openalex.org/W2963092440', 'https://openalex.org/W2964308564', 'https://openalex.org/W3098133181', 'https://openalex.org/W3098269892', 'https://openalex.org/W3100751385', 'https://openalex.org/W3104705366', 'https://openalex.org/W3106536628', 'https://openalex.org/W4291162438', 'https://openalex.org/W4300101671'], 'related_works': ['https://openalex.org/W775311126', 'https://openalex.org/W4391334978', 'https://openalex.org/W4388137171', 'https://openalex.org/W4380551139', 'https://openalex.org/W4365211920', 'https://openalex.org/W4317695495', 'https://openalex.org/W4301024388', 'https://openalex.org/W4300030714', 'https://openalex.org/W1967909251', 'https://openalex.org/W1517876498'], 'abstract_inverted_index': {'In': [0], 'this': [1], 'work,': [2], 'we': [3], 'propose': [4], 'a': [5, 15, 39, 65, 69, 79], 'machine': [6], 'learning': [7], 'approach': [8], 'to': [9, 59], 'generate': [10, 78], 'novel': [11, 88], 'molecules': [12, 49], 'starting': [13], 'from': [14, 30], 'seed': [16], 'compound,': [17, 66], 'its': [18, 23], 'three-dimensional': [19], '(3D)': [20], 'shape,': [21], 'and': [22, 37, 73, 90], 'pharmacophoric': [24], 'features.': [25, 53], 'The': [26, 84], 'pipeline': [27], 'draws': [28], 'inspiration': [29], 'generative': [31, 85], 'models': [32], 'used': [33, 58], 'in': [34], 'image': [35], 'analysis': [36], 'represents': [38], 'first': [40], 'example': [41], 'of': [42, 47, 64, 71, 81, 87, 97], 'the': [43, 61], 'de': [44], 'novo': [45], 'design': [46, 86], 'lead-like': [48, 103], 'guided': [50], 'by': [51, 68], 'shape-based': [52], 'A': [54], 'variational': [55], 'autoencoder': [56], 'is': [57], 'perturb': [60], '3D': [62], 'representation': [63], 'followed': [67], 'system': [70], 'convolutional': [72], 'recurrent': [74], 'neural': [75], 'networks': [76], 'that': [77, 100], 'sequence': [80], 'SMILES': [82], 'tokens.': [83], 'scaffolds': [89], 'functional': [91], 'groups': [92], 'can': [93], 'cover': [94], 'unexplored': [95], 'regions': [96], 'chemical': [98], 'space': [99], 'still': [101], 'possess': [102], 'properties.': [104]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2914635984', 'counts_by_year': [{'year': 2024, 'cited_by_count': 25}, {'year': 2023, 'cited_by_count': 42}, {'year': 2022, 'cited_by_count': 36}, {'year': 2021, 'cited_by_count': 57}, {'year': 2020, 'cited_by_count': 32}, {'year': 2019, 'cited_by_count': 13}, {'year': 2017, 'cited_by_count': 1}], 'updated_date': '2024-12-21T08:20:15.905599', 'created_date': '2019-02-21'}