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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...
Autores principales: | , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2022
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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. |
format | Online Article Text |
id | pubmed-9825411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
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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