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RESEARCH PAPER · ChemRxiv · 2020

Synthetically Accessible Virtual Inventory (SAVI)

Hitesh Patel, Wolf Dietrich Ihlenfeldt, Philip Neville Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach, Nadya I. Tarasova, Marc C. Nicklaus

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12 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

Synthetically Accessible Virtual Inventory (SAVI)OriginalHow to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors40Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release19Adapting CHMTRN (CHeMistry TRaNslator) for a New Use21Computational Approaches to Identify a Hidden Pharmacological Potential in Large Chemical Libraries12SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules66Defining and Exploring Chemical Spaces124Profiling and analysis of chemical compounds using pointwise mutual information9Automated Synthesis1Report on an NIH Workshop on Ultralarge Chemistry Databases23InChI version 1.06: now more than 99.99% reliable58Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings39Enumerable Libraries and Accessible Chemical Space in Drug Discovery4

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12 direct citing papers saved.

  1. How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

    Frontiers in Chemistry · 2018-04-26

    Pavel V. Pogodin, Alexey A. Lagunin, Anastasia V. Rudik, Dmitry A. Filimonov, Dmitry S. Druzhilovskiy, Marc C. Nicklaus, Vladimir Poroikov

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  2. Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release

    arXiv (Cornell University) · 2020-05-28

    Yadu Babuji, Ben J. Blaiszik, Tom Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Ian T Foster, Zhi Hong, Shantenu Jha, Zhuozhao Li, Xuefeng Liu, Arvind Ramanathan, Ren, Yi, Nicholaus Saint, Marcus Schwarting, Rick L. Stevens, Hubertus J. J. van Dam, Rick Wagner

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  3. Adapting CHMTRN (CHeMistry TRaNslator) for a New Use

    Journal of Chemical Information and Modeling · 2020-06-15

    Philip Neville Judson, Wolf Dietrich Ihlenfeldt, Hitesh Patel, Victorien Delannée, Nadya I. Tarasova, Marc C. Nicklaus

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  4. Computational Approaches to Identify a Hidden Pharmacological Potential in Large Chemical Libraries

    Supercomputing Frontiers and Innovations · 2020-09-01

    Dmitry S. Druzhilovskiy, Leonid A. Stolbov, Полина Игоревна Савосина, Pavel V. Pogodin, Dmitry A. Filimonov, Alexander V. Veselovsky, Karen M. Stefanisko, Nadya I. Tarasova, Marc C. Nicklaus, Vladimir Poroikov

    Read original paper ↗ ·

  5. SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

    Scientific Data · 2020-11-11

    Hitesh Patel, Wolf Dietrich Ihlenfeldt, Philip Neville Judson, Yurii S. Moroz, Yuri Pevzner, Megan L. Peach, Victorien Delannée, Nadya I. Tarasova, Marc C. Nicklaus

    Read original paper ↗ ·

  6. Defining and Exploring Chemical Spaces

    Trends in Chemistry · 2020-12-17

    Connor W. Coley

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  7. Profiling and analysis of chemical compounds using pointwise mutual information

    Journal of Cheminformatics · 2021-01-10

    Ivan Čmelo, Milan Voršilák, Daniel Svozil

    Read original paper ↗ ·

  8. Automated Synthesis

    Burger's Medicinal Chemistry and Drug Discovery · 2021-04-28

    Thierry Masquelin, Andreas Kaerner, Ryan J. Bernhardt, Ji‐Bo Wang, Christos A. Nicolaou

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  9. Report on an NIH Workshop on Ultralarge Chemistry Databases

    ChemRxiv · 2021-05-10

    Wendy A. Warr

    Read original paper ↗ ·

  10. InChI version 1.06: now more than 99.99% reliable

    Journal of Cheminformatics · 2021-05-24

    Jonathan M. Goodman, И. В. Плетнев, Paul A Thiessen, Evan Bolton, Stephen R. Heller

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  11. Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings

    Journal of Chemical Information and Modeling · 2021-08-27

    Peter Ertl

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  12. Enumerable Libraries and Accessible Chemical Space in Drug Discovery

    Unknown journal · 2024-01-19

    Tim Knehans, Nicholas A. Boyles, Pieter H. Bos

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