Chirality descriptors for structure-activity relationship modeling of bioactive molecules

DOI10.1007/S10910-023-01531-2MaRDI QIDQ6635858zbMATH OpenFDO

Authors Ramanathan Natarajan, Claudiu N. Lungu, Subhash C. Basak

Publication date 12 November 2024

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/S10910-023-01531-2

zbMATH Keywords

chirality descriptorsdiastereomersenantiomersstructure-activity relationship

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

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