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canSAR: update to the cancer translational research and drug discovery knowledgebase

canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and s...

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Autores principales: di Micco, Patrizio, Antolin, Albert A, Mitsopoulos, Costas, Villasclaras-Fernandez, Eloy, Sanfelice, Domenico, Dolciami, Daniela, Ramagiri, Pradeep, Mica, Ioan L, Tym, Joseph E, Gingrich, Philip W, Hu, Huabin, Workman, Paul, Al-Lazikani, Bissan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9825411/
https://www.ncbi.nlm.nih.gov/pubmed/36624665
http://dx.doi.org/10.1093/nar/gkac1004
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author di Micco, Patrizio
Antolin, Albert A
Mitsopoulos, Costas
Villasclaras-Fernandez, Eloy
Sanfelice, Domenico
Dolciami, Daniela
Ramagiri, Pradeep
Mica, Ioan L
Tym, Joseph E
Gingrich, Philip W
Hu, Huabin
Workman, Paul
Al-Lazikani, Bissan
author_facet di Micco, Patrizio
Antolin, Albert A
Mitsopoulos, Costas
Villasclaras-Fernandez, Eloy
Sanfelice, Domenico
Dolciami, Daniela
Ramagiri, Pradeep
Mica, Ioan L
Tym, Joseph E
Gingrich, Philip W
Hu, Huabin
Workman, Paul
Al-Lazikani, Bissan
author_sort di Micco, Patrizio
collection PubMed
description canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and systems biology. Moreover, canSAR applies a unique suite of machine learning algorithms designed to inform drug discovery. Here, we describe the latest updates to the knowledgebase, including a focus on significant novel data. These include canSAR’s ligandability assessment of AlphaFold; mapping of fragment-based screening data; and new chemical bioactivity data for novel targets. We also describe enhancements to the data and interface.
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spelling pubmed-98254112023-01-10 canSAR: update to the cancer translational research and drug discovery knowledgebase di Micco, Patrizio Antolin, Albert A Mitsopoulos, Costas Villasclaras-Fernandez, Eloy Sanfelice, Domenico Dolciami, Daniela Ramagiri, Pradeep Mica, Ioan L Tym, Joseph E Gingrich, Philip W Hu, Huabin Workman, Paul Al-Lazikani, Bissan Nucleic Acids Res Database Issue canSAR (https://cansar.ai) is the largest public cancer drug discovery and translational research knowledgebase. Now hosted in its new home at MD Anderson Cancer Center, canSAR integrates billions of experimental measurements from across molecular profiling, pharmacology, chemistry, structural and systems biology. Moreover, canSAR applies a unique suite of machine learning algorithms designed to inform drug discovery. Here, we describe the latest updates to the knowledgebase, including a focus on significant novel data. These include canSAR’s ligandability assessment of AlphaFold; mapping of fragment-based screening data; and new chemical bioactivity data for novel targets. We also describe enhancements to the data and interface. Oxford University Press 2022-11-29 /pmc/articles/PMC9825411/ /pubmed/36624665 http://dx.doi.org/10.1093/nar/gkac1004 Text en © The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Database Issue
di Micco, Patrizio
Antolin, Albert A
Mitsopoulos, Costas
Villasclaras-Fernandez, Eloy
Sanfelice, Domenico
Dolciami, Daniela
Ramagiri, Pradeep
Mica, Ioan L
Tym, Joseph E
Gingrich, Philip W
Hu, Huabin
Workman, Paul
Al-Lazikani, Bissan
canSAR: update to the cancer translational research and drug discovery knowledgebase
title canSAR: update to the cancer translational research and drug discovery knowledgebase
title_full canSAR: update to the cancer translational research and drug discovery knowledgebase
title_fullStr canSAR: update to the cancer translational research and drug discovery knowledgebase
title_full_unstemmed canSAR: update to the cancer translational research and drug discovery knowledgebase
title_short canSAR: update to the cancer translational research and drug discovery knowledgebase
title_sort cansar: update to the cancer translational research and drug discovery knowledgebase
topic Database Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9825411/
https://www.ncbi.nlm.nih.gov/pubmed/36624665
http://dx.doi.org/10.1093/nar/gkac1004
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