Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W4385343013', 'doi': 'https://doi.org/10.1038/s41467-023-40219-8', 'title': 'Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery', 'display_name': 'Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery', 'publication_year': 2023, 'publication_date': '2023-07-28', 'ids': {'openalex': 'https://openalex.org/W4385343013', 'doi': 'https://doi.org/10.1038/s41467-023-40219-8', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/37507402'}, 'language': 'en', 'primary_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41467-023-40219-8', 'pdf_url': 'https://www.nature.com/articles/s41467-023-40219-8.pdf', 'source': {'id': 'https://openalex.org/S64187185', 'display_name': 'Nature Communications', 'issn_l': '2041-1723', 'issn': ['2041-1723'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], 'open_access': {'is_oa': True, 'oa_status': 'gold', 'oa_url': 'https://www.nature.com/articles/s41467-023-40219-8.pdf', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5101470346', 'display_name': 'Yanyan Diao', 'orcid': 'https://orcid.org/0000-0002-4210-4399'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Yanyan Diao', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100327096', 'display_name': 'Dandan Liu', 'orcid': 'https://orcid.org/0000-0001-6213-1880'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Dandan Liu', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5113743965', 'display_name': 'Huan Ge', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Huan Ge', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100403043', 'display_name': 'Rongrong Zhang', 'orcid': 'https://orcid.org/0009-0000-7343-3067'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Rongrong Zhang', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5049132970', 'display_name': 'Kexin Jiang', 'orcid': 'https://orcid.org/0009-0009-4312-6299'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Kexin Jiang', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5109626344', 'display_name': 'R. BAO', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Runhui Bao', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100574032', 'display_name': 'Xiaoqian Zhu', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Xiaoqian Zhu', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5032371241', 'display_name': 'Hongjie Bi', 'orcid': 'https://orcid.org/0000-0001-6747-4022'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Hongjie Bi', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5101282474', 'display_name': 'Wenjie Liao', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Wenjie Liao', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5045517262', 'display_name': 'Ziqi Chen', 'orcid': 'https://orcid.org/0000-0002-8206-5224'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Ziqi Chen', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100324058', 'display_name': 'Kai Zhang', 'orcid': 'https://orcid.org/0000-0003-4058-6512'}, 'institutions': [{'id': 'https://openalex.org/I66867065', 'display_name': 'East China Normal University', 'ror': 'https://ror.org/02n96ep67', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I66867065']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Kai Zhang', 'raw_affiliation_strings': ['Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China'], 'affiliations': [{'raw_affiliation_string': 'Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China', 'institution_ids': ['https://openalex.org/I66867065']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100431408', 'display_name': 'Rui Wang', 'orcid': 'https://orcid.org/0000-0003-3825-3620'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Rui Wang', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100748869', 'display_name': 'Li Zhu', 'orcid': 'https://orcid.org/0000-0001-5249-6536'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Lili Zhu', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5103039291', 'display_name': 'Zhenjiang Zhao', 'orcid': 'https://orcid.org/0000-0002-9706-6158'}, 'institutions': [{'id': 'https://openalex.org/I143593769', 'display_name': 'East China University of Science and Technology', 'ror': 'https://ror.org/01vyrm377', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I143593769']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Zhenjiang Zhao', 'raw_affiliation_strings': ['Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China'], 'affiliations': [{'raw_affiliation_string': 'Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, 200237, China', 'institution_ids': ['https://openalex.org/I143593769']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5104084074', 'display_name': 'Qiaoyu Hu', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I66867065', 'display_name': 'East China Normal University', 'ror': 'https://ror.org/02n96ep67', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I66867065']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Qiaoyu Hu', 'raw_affiliation_strings': ['Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China'], 'affiliations': [{'raw_affiliation_string': 'Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China', 'institution_ids': ['https://openalex.org/I66867065']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5100688144', 'display_name': 'Honglin Li', 'orcid': 'https://orcid.org/0000-0003-2270-1900'}, 'institutions': [{'id': 'https://openalex.org/I66867065', 'display_name': 'East China Normal University', 'ror': 'https://ror.org/02n96ep67', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I66867065']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Honglin Li', 'raw_affiliation_strings': ['Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China'], 'affiliations': [{'raw_affiliation_string': 'Innovation Center for AI and Drug Discovery, East China Normal University, Shanghai, 200062, China', 'institution_ids': ['https://openalex.org/I66867065']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 3920, 'currency': 'GBP', 'value_usd': 4808, 'provenance': 'doaj'}, 'apc_paid': {'value': 3920, 'currency': 'GBP', 'value_usd': 4808, 'provenance': 'doaj'}, 'fwci': 5.694, 'has_fulltext': True, 'fulltext_origin': 'pdf', 'cited_by_count': 15, 'citation_normalized_percentile': {'value': 0.999879, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 97, 'max': 98}, 'biblio': {'volume': '14', 'issue': '1', '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': 0.9994, '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': 0.9994, '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/T10911', 'display_name': 'Chemical Synthesis and Analysis', 'score': 0.9978, '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'}}, {'id': 'https://openalex.org/T11440', 'display_name': 'Click Chemistry and Applications', 'score': 0.9956, '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/chembl', 'display_name': 'chEMBL', 'score': 0.96836126}, {'id': 'https://openalex.org/keywords/chemical-space', 'display_name': 'Chemical space', 'score': 0.87002575}], 'concepts': [{'id': 'https://openalex.org/C63222358', 'wikidata': 'https://www.wikidata.org/wiki/Q6120337', 'display_name': 'chEMBL', 'level': 3, 'score': 0.96836126}, {'id': 'https://openalex.org/C99726746', 'wikidata': 'https://www.wikidata.org/wiki/Q906396', 'display_name': 'Chemical space', 'level': 3, 'score': 0.87002575}, {'id': 'https://openalex.org/C74187038', 'wikidata': 'https://www.wikidata.org/wiki/Q1418791', 'display_name': 'Drug discovery', 'level': 2, 'score': 0.68295443}, {'id': 'https://openalex.org/C103697762', 'wikidata': 'https://www.wikidata.org/wiki/Q4112105', 'display_name': 'Virtual screening', 'level': 3, 'score': 0.5752189}, {'id': 'https://openalex.org/C21951064', 'wikidata': 'https://www.wikidata.org/wiki/Q899212', 'display_name': 'Combinatorial chemistry', 'level': 1, 'score': 0.5157195}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.5002768}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.46188802}, {'id': 'https://openalex.org/C2778738651', 'wikidata': 'https://www.wikidata.org/wiki/Q16546687', 'display_name': 'Novelty', 'level': 2, 'score': 0.45964575}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.4578977}, {'id': 'https://openalex.org/C161624437', 'wikidata': 'https://www.wikidata.org/wiki/Q1988322', 'display_name': 'Small molecule', 'level': 2, 'score': 0.42736733}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.083827436}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.08305788}, {'id': 'https://openalex.org/C138885662', 'wikidata': 'https://www.wikidata.org/wiki/Q5891', 'display_name': 'Philosophy', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C27206212', 'wikidata': 'https://www.wikidata.org/wiki/Q34178', 'display_name': 'Theology', 'level': 1, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D000077321', 'descriptor_name': 'Deep Learning', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D000075242', 'descriptor_name': 'Janus Kinase Inhibitors', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D047028', 'descriptor_name': 'Macrocyclic Compounds', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D055808', 'descriptor_name': 'Drug Discovery', 'qualifier_ui': 'Q000379', 'qualifier_name': 'methods', 'is_major_topic': False}, {'descriptor_ui': 'D055808', 'descriptor_name': 'Drug Discovery', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D047028', 'descriptor_name': 'Macrocyclic Compounds', 'qualifier_ui': 'Q000494', 'qualifier_name': 'pharmacology', 'is_major_topic': False}, {'descriptor_ui': 'D047028', 'descriptor_name': 'Macrocyclic Compounds', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': False}, {'descriptor_ui': 'D062105', 'descriptor_name': 'Molecular Docking Simulation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 3, 'locations': [{'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41467-023-40219-8', 'pdf_url': 'https://www.nature.com/articles/s41467-023-40219-8.pdf', 'source': {'id': 'https://openalex.org/S64187185', 'display_name': 'Nature Communications', 'issn_l': '2041-1723', 'issn': ['2041-1723'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, {'is_oa': True, 'landing_page_url': 'https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10382584', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S2764455111', 'display_name': 'PubMed Central', 'issn_l': None, 'issn': None, 'is_oa': True, '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': 'publishedVersion', 'is_accepted': True, 'is_published': True}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/37507402', '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': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41467-023-40219-8', 'pdf_url': 'https://www.nature.com/articles/s41467-023-40219-8.pdf', 'source': {'id': 'https://openalex.org/S64187185', 'display_name': 'Nature Communications', 'issn_l': '2041-1723', 'issn': ['2041-1723'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'sustainable_development_goals': [], 'grants': [{'funder': 'https://openalex.org/F4320321001', 'funder_display_name': 'National Natural Science Foundation of China', 'award_id': '82150208'}], 'datasets': [], 'versions': [], 'referenced_works_count': 60, 'referenced_works': ['https://openalex.org/W1596258860', 'https://openalex.org/W1902237438', 'https://openalex.org/W1968711897', 'https://openalex.org/W1969389753', 'https://openalex.org/W1972923939', 'https://openalex.org/W1973160387', 'https://openalex.org/W1975147762', 'https://openalex.org/W1976848779', 'https://openalex.org/W1985588649', 'https://openalex.org/W1995981641', 'https://openalex.org/W1998233841', 'https://openalex.org/W2023018411', 'https://openalex.org/W2043781659', 'https://openalex.org/W2045469701', 'https://openalex.org/W2064550435', 'https://openalex.org/W2085637472', 'https://openalex.org/W2086286404', 'https://openalex.org/W2090568923', 'https://openalex.org/W2096541451', 'https://openalex.org/W2097888801', 'https://openalex.org/W2143678800', 'https://openalex.org/W2146228871', 'https://openalex.org/W2170169485', 'https://openalex.org/W2279263454', 'https://openalex.org/W2345340078', 'https://openalex.org/W2607439181', 'https://openalex.org/W2615765466', 'https://openalex.org/W2761129490', 'https://openalex.org/W2773080986', 'https://openalex.org/W2784414491', 'https://openalex.org/W2790808809', 'https://openalex.org/W2791240656', 'https://openalex.org/W2795068716', 'https://openalex.org/W2885020292', 'https://openalex.org/W2889326414', 'https://openalex.org/W2905070646', 'https://openalex.org/W2911067384', 'https://openalex.org/W2916926950', 'https://openalex.org/W2921492615', 'https://openalex.org/W2944444723', 'https://openalex.org/W2963212250', 'https://openalex.org/W2978551174', 'https://openalex.org/W2989615256', 'https://openalex.org/W2990200213', 'https://openalex.org/W2992586577', 'https://openalex.org/W2998571806', 'https://openalex.org/W3011286504', 'https://openalex.org/W3017609301', 'https://openalex.org/W3030948478', 'https://openalex.org/W3044640842', 'https://openalex.org/W3089761384', 'https://openalex.org/W3093687066', 'https://openalex.org/W3102516861', 'https://openalex.org/W3116865743', 'https://openalex.org/W3128067841', 'https://openalex.org/W3134291427', 'https://openalex.org/W4214808626', 'https://openalex.org/W4225329911', 'https://openalex.org/W4243852971', 'https://openalex.org/W4385343013'], 'related_works': ['https://openalex.org/W4385343013', 'https://openalex.org/W4313503466', 'https://openalex.org/W4283395020', 'https://openalex.org/W2921492615', 'https://openalex.org/W2765475299', 'https://openalex.org/W2487343495', 'https://openalex.org/W2186935268', 'https://openalex.org/W2184091110', 'https://openalex.org/W2172072929', 'https://openalex.org/W2061741442'], 'abstract_inverted_index': {'Abstract': [0], 'Interest': [1], 'in': [2], 'macrocycles': [3, 104], 'as': [4, 97], 'potential': [5, 18], 'therapeutic': [6], 'agents': [7], 'has': [8], 'increased': [9], 'rapidly.': [10], 'Macrocyclization': [11], 'of': [12, 31, 38, 67, 70, 103, 134, 155], 'bioactive': [13], 'acyclic': [14, 73, 82, 92], 'molecules': [15], 'provides': [16], 'a': [17, 46, 71], 'avenue': [19], 'to': [20, 28, 151], 'yield': [21], 'novel': [22], 'chemical': [23, 65, 106], 'scaffolds,': [24], 'which': [25], 'can': [26, 85], 'contribute': [27], 'the': [29, 32, 63, 81, 88, 132, 152], 'improvement': [30], 'biological': [33], 'activity': [34], 'and': [35, 93, 100, 108, 119, 128, 142], 'physicochemical': [36], 'properties': [37], 'these': [39], 'molecules.': [40], 'In': [41, 111], 'this': [42], 'study,': [43], 'we': [44, 55], 'propose': [45], 'computational': [47], 'macrocyclization': [48], 'method': [49], 'based': [50, 145], 'on': [51], 'Transformer': [52], 'architecture': [53], '(which': [54], 'name': [56], 'Macformer).': [57], 'Leveraging': [58], 'deep': [59], 'learning,': [60], 'Macformer': [61, 84, 124, 135], 'explores': [62], 'vast': [64], 'space': [66], 'macrocyclic': [68, 94, 156], 'analogues': [69], 'given': [72], 'molecule': [74], 'by': [75, 148], 'adding': [76], 'diverse': [77], 'linkers': [78], 'compatible': [79], 'with': [80, 105, 138], 'molecule.': [83], 'efficiently': [86], 'learn': [87], 'implicit': [89], 'relationships': [90], 'between': [91], 'structures': [95], 'represented': [96], 'SMILES': [98], 'strings': [99], 'generate': [101], 'plenty': [102], 'diversity': [107], 'structural': [109], 'novelty.': [110], 'data': [112], 'augmentation': [113], 'scenarios': [114], 'using': [115], 'both': [116], 'internal': [117], 'ChEMBL': [118], 'external': [120], 'ZINC': [121], 'test': [122], 'datasets,': [123], 'display': [125], 'excellent': [126], 'performance': [127], 'generalisability.': [129], 'We': [130], 'showcase': [131], 'utility': [133], 'when': [136], 'combined': [137], 'molecular': [139], 'docking': [140], 'simulations': [141], 'wet': [143], 'lab': [144], 'experimental': [146], 'validation,': [147], 'applying': [149], 'it': [150], 'prospective': [153], 'design': [154], 'JAK2': [157], 'inhibitors.': [158]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W4385343013', 'counts_by_year': [{'year': 2024, 'cited_by_count': 13}, {'year': 2023, 'cited_by_count': 1}], 'updated_date': '2024-12-22T01:15:29.091603', 'created_date': '2023-07-29'}