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Scientific Reports
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November 10, 2023
Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel
Andrea Mastropietro, Christian Feldmann, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
November 23, 2019
Identifying Promiscuous Compounds with Activity against Different Target Classes
Christian Feldmann, Filip Miljković, Dimitar Yonchev, et al.
Molecular Pharmaceutics
|
November 5, 2020
Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity
Christian Feldmann, Dimitar Yonchev, Dagmar Stumpfe, et al.
Iscience
|
September 22, 2022
EdgeSHAPer: Bond-centric Shapley value-based explanation method for graph neural networks
Andrea Mastropietro, Giuseppe Pasculli, Christian Feldmann, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 9, 2020
N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization
Carina Lemke, Lorenzo Cianni, Christian Feldmann, et al.
Plos Neglected Tropical Diseases
|
March 13, 2020
Mapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents
Lorenzo Cianni, Carina Lemke, Erik Gilberg, et al.
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Search research articles
Search
Showing results (11-20 of 16) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 16 results.
Scientific Reports
|
November 10, 2023
Calculation of exact Shapley values for explaining support vector machine models using the radial basis function kernel
Andrea Mastropietro, Christian Feldmann, Jürgen Bajorath
Molecules (Basel, Switzerland)
|
November 23, 2019
Identifying Promiscuous Compounds with Activity against Different Target Classes
Christian Feldmann, Filip Miljković, Dimitar Yonchev, et al.
Molecular Pharmaceutics
|
November 5, 2020
Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity
Christian Feldmann, Dimitar Yonchev, Dagmar Stumpfe, et al.
Iscience
|
September 22, 2022
EdgeSHAPer: Bond-centric Shapley value-based explanation method for graph neural networks
Andrea Mastropietro, Giuseppe Pasculli, Christian Feldmann, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 9, 2020
N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization
Carina Lemke, Lorenzo Cianni, Christian Feldmann, et al.
Plos Neglected Tropical Diseases
|
March 13, 2020
Mapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents
Lorenzo Cianni, Carina Lemke, Erik Gilberg, et al.
Page
of 2