المؤلفون: Mario Villares, Carla M. Saunders, Natalie Fey

المصدر: Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100055- (2024)

مصطلحات موضوعية: Computational chemistry, Organometallic catalysis, Data science, Dimensionality reduction, Transition metal complexes, Chemistry, QD1-999, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949747724000137; https://doaj.org/toc/2949-7477

URL الوصول: https://doaj.org/article/01e7247ef7574b6f99c3b8ce8bd8663a

المؤلفون: Ze-Shu Wang, Steven H. Bennett, Bilal Kicin, Changcheng Jing, Johan A. Pradeilles, Karen Thai, James R. Smith, P. David Bacoş, Valerio Fasano, Carla M. Saunders, Varinder K. Aggarwal

المساهمون: Z. Wang, S.H. Bennett, B. Kicin, C. Jing, J.A. Pradeille, K. Thai, J.R. Smith, P. David Bacoş, V. Fasano, C.M. Saunder, V.K. Aggarwal

مصطلحات موضوعية: Settore CHIM/06 - Chimica Organica

Relation: info:eu-repo/semantics/altIdentifier/pmid/37326516; info:eu-repo/semantics/altIdentifier/wos/WOS:001011672300001; firstpage:1; lastpage:9; numberofpages:9; journal:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; https://hdl.handle.net/2434/977969; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85164210250

الاتاحة: https://hdl.handle.net/2434/977969
https://doi.org/10.1021/jacs.3c04582

المؤلفون: Wentao Guo, Stephanie R. Hare, Shu-Sen Chen, Carla M. Saunders, Dean J. Tantillo

المصدر: Journal of the American Chemical Society. 144:17219-17231

مصطلحات موضوعية: Lactones, Colloid and Surface Chemistry, Organometallic Compounds, Rhodium, General Chemistry, Ketones, Biochemistry, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::817753a6e5c0d50d114b7aa326b9ab28
https://doi.org/10.1021/jacs.2c07681

المؤلفون: Laura E. English, Thomas M. Horsley Downie, Catherine L. Lyall, Mary F. Mahon, Claire L. McMullin, Samuel E. Neale, Carla M. Saunders, David J. Liptrot

المصدر: Chemical communications (Cambridge, England).

مصطلحات موضوعية: Materials Chemistry, Metals and Alloys, Ceramics and Composites, General Chemistry, Catalysis, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5fe5f8d53ff87b025e5f4f83119c2e0
https://pubmed.ncbi.nlm.nih.gov/36621804

المؤلفون: Carla M. Saunders, Dean J. Tantillo

المصدر: Marine Drugs, Vol 15, Iss 6, p 171 (2017)

مصطلحات موضوعية: computational NMR, natural products, chemical shifts, Biology (General), QH301-705.5

Relation: http://www.mdpi.com/1660-3397/15/6/171; https://doaj.org/toc/1660-3397; https://doaj.org/article/b1a63cb7159547a6803053a27f1bad7f

الاتاحة: https://doi.org/10.3390/md15060171
https://doaj.org/article/b1a63cb7159547a6803053a27f1bad7f

المؤلفون: Carla M. Saunders, Chun-Yi Wu, Dean J. Tantillo, David E. Olson, Robert J. Tombari, Lee E. Dunlap

المصدر: ACS Chemical Biology. 14:1866-1873

مصطلحات موضوعية: 0301 basic medicine, chemistry.chemical_classification, biology, 010405 organic chemistry, Tryptophan, General Medicine, Tryptophan Metabolism, Gut flora, biology.organism_classification, 01 natural sciences, Biochemistry, Small molecule, 0104 chemical sciences, 03 medical and health sciences, Chromatographic separation, 030104 developmental biology, chemistry, Molecular Medicine, Flux (metabolism), Ex vivo, Essential amino acid

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::aae8985810407f4f54bf210cb67b8002
https://doi.org/10.1021/acschembio.9b00548

المؤلفون: Brandi M. Hudson, Carla M. Saunders, Dustin H. Nouri, Rebecca L. Davis, Stephanie R. Hare, Dean J. Tantillo, Michael W. Lodewyk, Nicole N. Nuñez, Teresa A. Palazzo, Justin B. Siegel, Phillip P. Painter, Terrence E. O’Brien

المصدر: Journal of Chemical Education. 96:920-925

مصطلحات موضوعية: Science instruction, Computer based learning, 010405 organic chemistry, education, 05 social sciences, 050301 education, Drug design, General Chemistry, computer.software_genre, 01 natural sciences, 0104 chemical sciences, Education, Human–computer interaction, Computer-aided, Computer Aided Design, 0503 education, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9a6e67f80a82b5365ff9082eb022eb39
https://doi.org/10.1021/acs.jchemed.8b00712

المؤلفون: Wentao Guo, Stephanie R. Hare, Shu-Sen Chen, Carla M. Saunders, Dean J. Tantillo

المصدر: Journal of the American Chemical Society. 144:20134-20134

مصطلحات موضوعية: Colloid and Surface Chemistry, General Chemistry, Biochemistry, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b010d13848d5cc418c93b9a50c8ceca3
https://doi.org/10.1021/jacs.2c10446

المؤلفون: Jie Li, Ben Shen, Orazio Taglialatela-Scafati, Matthias Niemitz, Sonja Sturm, Jian Min Yue, Andrei G. Kutateladze, Craig M. Williams, Nicholas H. Oberlies, Phillip Crews, Jean-Hugues Renault, Hermann Stuppner, John B. MacMillan, David Coppage, Harald Gross, Bin Gui Wang, Hiroyuki Koshino, Shao-Nong Chen, Bradley S. Moore, Carla M. Saunders, Jonathan Bisson, Andersson Barison, Miaomiao Liu, David G. I. Kingston, Young Hae Choi, Dean J. Tantillo, Mary J. Garson, Christoph Seger, Mehdi A. Beniddir, Hsiau Wei Lee, Wolfgang Robien, Zhengren Xu, Maique W. Biavatti, Tadeusz F. Molinski, David C. Lankin, Stefan Bluml, Damien Jeannerat, Philip G. Williams, José Rivera-Chávez, Julien Wist, Grégory Genta-Jouve, Ram P. Neupane, James B. McAlpine, Chen Zhang, Ronald J. Quinn, Joo-Won Nam, William H. Gerwick, Giovanni Appendino, Fernanda Maria Marins Ocampos, Jean-Marc Nuzillard, Joseph M. Egan, Luke Hunter, Marie Csete, Guohui Pan, Robert Verpoorte, Roger G. Linington, Tyler A. Johnson, Precilia Hermanto, Kerry L. McPhail, Mark S. Butler, Guy Lewin, Charlotte Simmler, Guido F. Pauli, Michael T. Crimmins, Mary Kay Harper, Thomas J. Schmidt, Christoph Steinbeck, James M. Hook, Nai Yun Ji, D. Sai Reddy, Asmaa Boufridi, Robert J. Capon, Pradeep Dewapriya

المساهمون: Jeannerat, Damien, Mcalpine, James B, Chen, Shao-Nong, Kutateladze, Andrei, Macmillan, John B, Appendino, Giovanni, Barison, Andersson, Beniddir, Mehdi A, Biavatti, Maique W, Bluml, Stefan, Boufridi, Asmaa, Butler, Mark S, Capon, Robert J, Choi, Young H, Coppage, David, Crews, Phillip, Crimmins, Michael T, Csete, Marie, Dewapriya, Pradeep, Egan, Joseph M, Garson, Mary J, Genta-Jouve, Grégory, Gerwick, William H, Gross, Harald, Harper, Mary Kay, Hermanto, Precilia, Hook, James M, Hunter, Luke, Nai-Yun, Ji, Johnson, Tyler A, Kingston, David G I, Koshino, Hiroyuki, Lee, Hsiau-Wei, Lewin, Guy, Jie, Li, Linington, Roger G, Liu, Miaomiao, Mcphail, Kerry L, Molinski, Tadeusz F, Moore, Bradley S, Nam, Joo-Won, Neupane, Ram P, Niemitz, Matthia, Nuzillard, Jean-Marc, Oberlies, Nicholas H, Ocampos, Fernanda M M, Pan, Guohui, Quinn, Ronald J, Reddy, D Sai, Renault, Jean-Hugue, Rivera-Chávez, José, Robien, Wolfgang, Saunders, Carla M, Schmidt, Thomas J, Seger, Christoph, Shen, Ben, Steinbeck, Christoph, Stuppner, Hermann, Sturm, Sonja, Taglialatela-Scafati, Orazio, Tantillo, Dean J, Verpoorte, Robert, Wang, Bin-Gui, Williams, Craig M, Williams, Philip G, Wist, Julien, Yue, Jian-Min, Zhang, Chen, Zhengren, Xu, Simmler, Charlotte, Lankin, David C, Bisson, Jonathan, Pauli, Guido F, Thallion Pharmaceuticals Inc., Brunel University London [Uxbridge], Dipartimento di Scienze Chimiche, DIPARTIMENTO DI SCIENZE CHIMICHE, Departamento de Química, Universidade Federal do Paraná (UFPR), Molécules bioactives, conception, isolement et synthèse (MBCIS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Equipe C-TAC (UMR 8638), Chimie Organique, Médicinale et Extractive et Toxicologie Expérimentale (COMETE - UMR 8638), Université Paris Descartes - Paris 5 (UPD5)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Descartes - Paris 5 (UPD5)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Sorbonne Paris Cité (USPC), University of Tübingen, University of New South Wales [Sydney] (UNSW), Department of organic Chemistry - University of Geneva, University of Geneva [Switzerland], Department of Chemistry and Biochemistry, University of California, University of California [Santa Cruz] (UCSC), University of California-University of California, Center for Marine Biotechnology and Biomedicine, University of California, Institut de Chimie Moléculaire de Reims - UMR 7312 (ICMR), SFR Condorcet, Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Chinese Academy of Sciences [Beijing] (CAS), University of Münster, European Bioinformatics Institute [Hinxton] (EMBL-EBI), EMBL Heidelberg, University of Innsbruck, Section Metabolomics (DIVISION OF PHARMACOGNOSY), Universiteit Leiden [Leiden]-Institute of Biology, Institut National de l'Environnement Industriel et des Risques (INERIS), Université Paris Descartes - Paris 5 (UPD5)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Descartes - Paris 5 (UPD5)-Centre National de la Recherche Scientifique (CNRS), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Natural Product Reports
Natural Product Reports, Vol. 36, No 1 (2019) pp. 35-107 / 248
Natural Product Reports, Royal Society of Chemistry, 2019, 36 (1), pp.35-107. ⟨10.1039/c7np00064b⟩
Natural product reports, vol 36, iss 1
Natural Product Reports, 36(1), 35-107

مصطلحات موضوعية: NMR, Natural Products, Raw Data, Reproducibility, Value (ethics), Magnetic Resonance Spectroscopy, Molecular Conformation, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, Medical and Health Sciences, 01 natural sciences, Biochemistry, Article, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Component (UML), Drug Discovery, Dissemination, Biological Products, Biological studies, 010405 organic chemistry, Organic Chemistry, Reproducibility of Results, Biological Sciences, Transparency (behavior), Data science, Nmr data, 0104 chemical sciences, Chemical Sciences, ddc:540, Generic health relevance, Natural Product Research, Raw data, [CHIM.CHEM]Chemical Sciences/Cheminformatics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9225bf1520833822cdd57545ac091fbb
https://doi.org/10.1039/c7np00064b

المؤلفون: Dean J. Tantillo, Mohammad B. Khaled, Carla M. Saunders, Jimmie D. Weaver

المصدر: The Journal of Organic Chemistry. 83:3220-3225

مصطلحات موضوعية: Chemistry, Extramural, Chemical shift, Organic Chemistry, Maximum deviation, Stereoisomerism, 02 engineering and technology, Fluorine-19 NMR, Nuclear magnetic resonance spectroscopy, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Computational chemistry, 0210 nano-technology, Scaling

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::47a6d5efe0cd1136f47990ebb005fcb0
https://doi.org/10.1021/acs.joc.8b00104

المؤلفون: Robert J, Tombari, Carla M, Saunders, Chun-Yi, Wu, Lee E, Dunlap, Dean J, Tantillo, David E, Olson

المصدر: ACS Chem Biol

مصطلحات موضوعية: Male, Rats, Sprague-Dawley, Magnetic Resonance Spectroscopy, Tryptophan, Animals, Female, Fluorine, Proof of Concept Study, Article, Gastrointestinal Microbiome

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::e80b0ecda57bcd60c7b08b162f4a0d2b
https://pubmed.ncbi.nlm.nih.gov/31449387

المؤلفون: Carla M. Saunders, Sara Y. Howard, Jared T. Shaw, James C. Fettinger, Dean J. Tantillo, Noah P. Burlow

المصدر: Organic letters. 21(4)

مصطلحات موضوعية: Addition reaction, 010405 organic chemistry, Organic Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, Medicinal chemistry, Cycloaddition, 0104 chemical sciences, Acylation, chemistry.chemical_compound, Tosyl, chemistry, Intramolecular force, Physical and Theoretical Chemistry, Selectivity, Conjugate

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e35ce797553963a7639dfd174b25d598
https://pubmed.ncbi.nlm.nih.gov/30721078

المؤلفون: Mary J. Garson, Jean-Marc Nuzillard, Ronald J. Quinn, Charlotte Simmler, Roger G. Linington, Tyler A. Johnson, Precilia Hermanto, Robert Verpoorte, Jian-Min Yue, Craig M. Williams, Guy Lewin, Bradley S. Moore, Dean J. Tantillo, Damien Jeannerat, Jie Li, Ram P. Neupane, Christoph Steinbeck, Nicholas H. Oberlies, James M. Hook, Hermann Stuppner, David G. I. Kingston, Giovanni Appendino, Carla M. Saunders, Jean-Hugues Renault, John B. MacMillan, Asmaa Boufridi, Wolfgang Robien, Mark S. Butler, Orazio Taglialatela-Scafati, Matthias Niemitz, Michael T. Crimmins, David C. Lankin, Luke Hunter, Nai Yun Ji, Philip G. Williams, Mehdi A. Beniddir, Robert J. Capon, Stefan Bluml, Pradeep Dewapriya, Maique W. Biavatti, Thomas J. Schmidt, Harald Gross, Julien Wist, Joo-Won Nam, Bin Gui Wang, Miaomiao Liu, Jonathan Bisson, James B. McAlpine, Ben Shen, Chen Zhang, Phillip Crews, Fernanda Maria Marins Ocampos, David Coppage, Grégory Genta-Jouve, Andersson Barison, José Rivera-Chávez, Young Hae Choi, Sonja Sturm, Hiroyuki Koshino, Hsiau-Wei Lee, Guido F. Pauli, Christoph Seger, Joseph M. Egan, D. Sai Reddy, Mary Kay Harper, William H. Gerwick, Marie Csete, Guohui Pan, Kerry L. McPhail, Andrei G. Kutateladze, Shao-Nong Chen, Zhengren Xu, Tadeusz F. Molinski

المساهمون: Thallion Pharmaceuticals Inc., Brunel University London [Uxbridge], Dipartimento di Scienze Chimiche, DIPARTIMENTO DI SCIENZE CHIMICHE, Departamento de Química, Universidade Federal do Paraná (UFPR), Molécules bioactives, conception, isolement et synthèse (MBCIS), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Chimie Organique, Médicinale et Extractive et Toxicologie Expérimentale (COMETE - UMR 8638), Université Paris Descartes - Paris 5 (UPD5)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), University of Tübingen, University of Maryland [College Park], University of Maryland System, School of Mathematics [Manchester], University of Manchester [Manchester], Department of organic Chemistry - University of Geneva, University of Geneva [Switzerland], University of Michigan [Ann Arbor], University of Michigan System, Institut de Chimie Moléculaire de Reims - UMR 7312 (ICMR), SFR Condorcet, Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Chinese Academy of Sciences [Beijing] (CAS), Hamburg University of Applied Sciences [Hamburg], European Bioinformatics Institute [Hinxton] (EMBL-EBI), EMBL Heidelberg, University of Innsbruck, Section of Metabolomics, Pharmacognosy Department, Institute of Biology, Gorlaeus Laboratories, Universiteit Leiden [Leiden], Institut National de l'Environnement Industriel et des Risques (INERIS), Université Paris Descartes - Paris 5 (UPD5)-Centre National de la Recherche Scientifique (CNRS), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Natural Product Reports
Natural Product Reports, Royal Society of Chemistry, 2019, 36 (1), pp.248-249. ⟨10.1039/C8NP90041H⟩
Natural product reports, vol 36, iss 1
Natural Product Reports, Royal Society of Chemistry, 2019, 36 (1), pp.248-249

مصطلحات موضوعية: Reproducibility, business.industry, Organic Chemistry, Biological Sciences, Medical and Health Sciences, Biochemistry, Nmr data, Transparency (behavior), Chemistry, Clinical Research, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Chemical Sciences, Drug Discovery, Value (economics), Natural Product Research, Process engineering, business, human activities, ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47d5ce3ea0d5b7baafafdbd267deee3a
https://doi.org/10.1039/c8np90041h