ATS drugs molecular structure representation using refined 3D geometric moment invariants

DOI10.1007/s10910-017-0775-3zbMath1380.92099OpenAlexW2731752227MaRDI QIDQ1694265

Ajith Abraham, Jan Flusser, Azah Kamilah Muda, Satrya Fajri Pratama, Yun-Huoy Choo

Publication date: 1 February 2018

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

Full work available at URL: https://doi.org/10.1007/s10910-017-0775-3

zbMATH Keywords

molecular similaritymolecular descriptorsgeometric moment invariants3D moment invariantsATS drugs

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

3D geometric moment invariants from the point of view of the classical invariant theory

Uses Software

• Marvin
• Jmol
• binvox

Cites Work

• Unnamed Item
• Exact and fast computation of geometric moments for gray level images
• Geometric moment invariants
• Refined moment calculation using image block representation
• Moments and Moment Invariants in Pattern Recognition
• Three-Dimensional Moment Invariants
• Random forests

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