Soma Kosakai

affiliation not provided to SSRN

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SCHOLARLY PAPERS

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Scholarly Papers (1)

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A Method to Define a Domain in Chemical Space Where Only Stable Molecular Structures Exist

Downloads 21 (1,154,574)

A Method to Define a Domain in Chemical Space Where Only Stable Molecular Structures Exist

Number of pages: 20 Posted: 03 Mar 2025
Soma Kosakai and Hiromasa Kaneko
affiliation not provided to SSRN and Meiji University
Downloads 18 (1,230,674)

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Applicability domain, Cheminformatics, machine learning, Molecular design, Molecular diversity, Molecular stability

A Method to Define a Domain in Chemical Space Where Only Stable Molecular Structures Exist

Number of pages: 18 Posted: 22 Apr 2025
Soma Kosakai and Hiromasa Kaneko
affiliation not provided to SSRN and Meiji University
Downloads 3 (1,387,920)

Abstract:

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Cheminformatics, machine learning, Molecular design