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

Journal: Nucleic acids research
Published Date: Jan 6, 2023

Abstract

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.

Authors

  • Patrizio Di Micco
    All authors: The Institute of Cancer Research, London, United Kingdom.
  • Albert A Antolin
    Cancer Research UK Cancer Therapeutics Unit, The Institute of Cancer Research, London, SM2 5NG, UK.
  • Costas Mitsopoulos
    Cancer Research UK Cancer Therapeutics Unit, The Institute of Cancer Research, London, SM2 5NG, UK.
  • Eloy Villasclaras-Fernandez
    The Department of Data Science, The Institute of Cancer Research, London, UK.
  • Domenico Sanfelice
    The Department of Data Science, The Institute of Cancer Research, London, UK.
  • Daniela Dolciami
    Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
  • Pradeep Ramagiri
    Centre for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research, London, UK.
  • Ioan L Mica
    Department of Data Science, The Institute of Cancer Research, London SM2 5NG, UK.
  • Joseph E Tym
    All authors: The Institute of Cancer Research, London, United Kingdom.
  • Philip W Gingrich
    The Department of Genomic Medicine & The Institute of Data Science in Oncology, MD Anderson Cancer Center, Houston, TX, USA.
  • Huabin Hu
    CAS Key Laboratory of Tropical Plant Resources and Sustainable Use, Xishuangbanna Tropical Botanical Garden, Chinese Academy of Sciences, Kunming 650223, China.
  • Paul Workman
    Cancer Research UK Cancer Therapeutics Unit, The Institute of Cancer Research, London SM2 5NG, UK.
  • Bissan Al-Lazikani
    All authors: The Institute of Cancer Research, London, United Kingdom.

Keywords

External Resources

Popular Topics
Recent Journals