المؤلفون: Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli

المصدر: Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-12 (2022)

مصطلحات موضوعية: ADME profile, Antibiotic resistance, Artificial intelligence, Career development, Drug discovery, Machine learning, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/c7438a3c488344729743a6904d1bb89f

المؤلفون: Robert Kraft, Allon Kahn, José L. Medina-Franco, Mikayla L. Orlowski, Cayla Baynes, Fabian López-Vallejo, Kobus Barnard, Gerald M. Maggiora, Linda L. Restifo

المصدر: Disease Models & Mechanisms, Vol 6, Iss 1, Pp 217-235 (2013)

مصطلحات موضوعية: Medicine, Pathology, RB1-214

وصف الملف: electronic resource

Relation: http://dmm.biologists.org/content/6/1/217; https://doaj.org/toc/1754-8403; https://doaj.org/toc/1754-8411

URL الوصول: https://doaj.org/article/6dcc206b5f884de0935effbcba21cb6f

المؤلفون: Michael D. Prados, David W. Craig, John D. Carpten, Michael E. Berens, Jeffrey M. Trent, Winnie S. Liang, Sara Nasser, Sen Peng, Gerald M. Maggiora, Annette M. Molinaro, Mitchel S. Berger, Susan M. Chang, Jennifer L. Clarke, Jennie W. Taylor, Nicholas A. Butowski, Ingo K. Mellinghoff, Timothy F. Cloughesy, Patrick Y. Wen, Keith L. Ligon, Howard Colman, John F. de Groot, John G. Kuhn, Joanna J. Phillips, Rebecca F. Halperin, Nhan L. Tran, Sara A. Byron

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bda8dbd25cdfe81cd1161fd83f3186ed
https://doi.org/10.1158/1078-0432.22466372

المؤلفون: Michael D. Prados, David W. Craig, John D. Carpten, Michael E. Berens, Jeffrey M. Trent, Winnie S. Liang, Sara Nasser, Sen Peng, Gerald M. Maggiora, Annette M. Molinaro, Mitchel S. Berger, Susan M. Chang, Jennifer L. Clarke, Jennie W. Taylor, Nicholas A. Butowski, Ingo K. Mellinghoff, Timothy F. Cloughesy, Patrick Y. Wen, Keith L. Ligon, Howard Colman, John F. de Groot, John G. Kuhn, Joanna J. Phillips, Rebecca F. Halperin, Nhan L. Tran, Sara A. Byron

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d428228d409e48210b0352b02b3c1b2
https://doi.org/10.1158/1078-0432.c.6526301

المؤلفون: Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a34fefb6b1e2237b93cfa77fffeab715
https://doi.org/10.26434/chemrxiv-2022-nr0dm-v2

المؤلفون: Martin Vogt, Javed Iqbal, Jürgen Bajorath, Gerald M. Maggiora, José L. Medina-Franco

المصدر: Journal of Chemical Information and Modeling. 60:5873-5880

مصطلحات موضوعية: Measure (data warehouse), Property (philosophy), business.industry, Computer science, General Chemical Engineering, General Chemistry, Library and Information Sciences, Machine learning, computer.software_genre, Computer Science Applications, Structure-Activity Relationship, Quantitative analysis (finance), Similarity (psychology), Graphical analysis, Artificial intelligence, business, computer, Landscape model

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9618cbce2a3c7dba29e6f5b61c63ccd
https://doi.org/10.1021/acs.jcim.0c01249

المؤلفون: Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli

المصدر: Bajorath, J, Chávez-Hernández, A L, Duran-Frigola, M, Fernández-de Gortari, E, Gasteiger, J, López-López, E, Maggiora, G M, Medina-Franco, J L, Méndez-Lucio, O, Mestres, J, Miranda-Quintana, R A, Oprea, T I, Plisson, F, Prieto-Martínez, F D, Rodríguez-Pérez, R, Rondón-Villarreal, P, Saldívar-Gonzalez, F I, Sánchez-Cruz, N & Valli, M 2022, ' Chemoinformatics and artificial intelligence colloquium : progress and challenges in developing bioactive compounds ', Journal of Cheminformatics, vol. 14, no. 1, 82 . https://doi.org/10.1186/s13321-022-00661-0

مصطلحات موضوعية: Virtual screening, Artificial intelligence, Natural products, Antibiotic resistance, Drug discovery, ADME profile, Library and Information Sciences, Computer Graphics and Computer-Aided Design, Computer Science Applications, Career development, Ligand-based drug design, Machine learning, ddc:000, Structure-based drug design, Physical and Theoretical Chemistry, Peptides

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72bd393824926d6a34206f998450db3c
https://curis.ku.dk/portal/da/publications/chemoinformatics-and-artificial-intelligence-colloquium(b2b187ab-76c1-46d7-92ce-aad2ca727908).html

المؤلفون: Abraham Madariaga-Mazón, Karina Martinez-Mayorga, Gerald M. Maggiora, José L. Medina-Franco

المصدر: Expert Opinion on Drug Discovery. 15:293-306

مصطلحات موضوعية: Drug, 0303 health sciences, Reductionism, Drug Industry, Computer science, business.industry, Mechanism (biology), Drug discovery, Cheminformatics, Research, media_common.quotation_subject, Big data, Drug action, Data science, 03 medical and health sciences, 0302 clinical medicine, Research Design, 030220 oncology & carcinogenesis, Drug Discovery, Humans, business, 030304 developmental biology, media_common, Pharmaceutical industry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b16ef206d4852f564170cf7477b6051d
https://doi.org/10.1080/17460441.2020.1696307

المؤلفون: Gerald M. Maggiora

المصدر: Future Medicinal Chemistry. 8:1907-1911

مصطلحات موضوعية: 0301 basic medicine, Pharmacology, Oncology, medicine.medical_specialty, business.industry, Imatinib, 03 medical and health sciences, 030104 developmental biology, Text mining, Pharmacotherapy, Internal medicine, Drug Discovery, Molecular Medicine, Medicine, business, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15f9fe3e6880b2eced1dbc65d338ee60
https://doi.org/10.4155/fmc-2016-0145

المؤلفون: Dagmar Stumpfe, Gerald M. Maggiora, Jürgen Bajorath, Martin Vogt

المصدر: Journal of Computer-Aided Molecular Design. 30:191-208

مصطلحات موضوعية: 0301 basic medicine, Sequence, Theoretical computer science, Computer science, Network science, Context (language use), Network topology, Data science, Chemical space, Computer Science Applications, Structure-Activity Relationship, 03 medical and health sciences, 030104 developmental biology, Fuzzy Logic, Drug Design, Drug Discovery, Similarity (psychology), Computer-Aided Design, Humans, Relevance (information retrieval), Physical and Theoretical Chemistry, Representation (mathematics), Algorithms

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75241996ea1db20659214dffdd626463
https://doi.org/10.1007/s10822-016-9906-3