{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/113292"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/113292","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Development of algorithmically prioritized methods for generalized natural product synthesis","abstract":"The synthesis of small molecule natural products has long captivated the attention of chemists and has generally proceeded via custom solutions to specific molecules. We propose to instead utilize a human guided algorithm to analyze a building block approach to natural products and identify key methodologies. Additionally, the stereochemical make up around each coupling can be used to help guide the creation of a substrate table. Herein we report the use of an algorithm to systematically fragment all linear natural product, conduct an optimization to choose the smallest set of blocks required to cover >75% of natural product chemical space, and establish a list of impactful couplings. We then selected one of the couplings and used a data driven substrate scope to guide methodological development that covered the predetermined substrates.","abstract_html":"The synthesis of small molecule natural products has long captivated the attention of chemists and has generally proceeded via custom solutions to specific molecules. We propose to instead utilize a human guided algorithm to analyze a building block approach to natural products and identify key methodologies. Additionally, the stereochemical make up around each coupling can be used to help guide the creation of a substrate table. Herein we report the use of an algorithm to systematically fragment all linear natural product, conduct an optimization to choose the smallest set of blocks required to cover >75% of natural product chemical space, and establish a list of impactful couplings. We then selected one of the couplings and used a data driven substrate scope to guide methodological development that covered the predetermined substrates.","abstract_has_math":false,"creators":["Simons, Claire Lillian Wolfe"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Burke, Martin D","van der Donk, Wilfred A","Mitchell, Douglas A","Peng, Jian"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2022,"date_issued":"2022-01-12T22:55:02Z","date_published":"2022-01-12T22:55:02Z","updated_at":"2026-07-22T22:24:53Z","subjects":["Natural product synthesis","building block synthesis","computationally guided methodology"],"languages":["en"],"rights":["Copyright 2021 Claire Simons"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/113292","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Burke, Martin D","van der Donk, Wilfred A","Mitchell, Douglas A","Peng, Jian"]},{"key":"dc:creator","label":"Author","values":["Simons, Claire Lillian Wolfe"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2022-01-12T22:55:02Z","2024-01-12T22:56:20Z","2021-07-14","2021-08"]},{"key":"dc:type","label":"Dc Type","values":["text","Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Natural product synthesis","building block synthesis","computationally guided methodology"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2021 Claire Simons"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/113292"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["The synthesis of small molecule natural products has long captivated the attention of chemists and has generally proceeded via custom solutions to specific molecules. 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