Weighted Tanimoto Coefficient for 3D Molecule Structure Similarity Measurement

no code implementations • 10 Jun 2018 • Siti Asmah Bero, Azah Kamilah Muda, Yun-Huoy Choo, Noor Azilah Muda, Satrya Fajri Pratama

In this paper, we introduces Weighted Tanimoto Coefficient based on weighted Euclidean distance in order to investigate the effect of weight function on the result for similarity searching.

Drug Discovery

Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure

no code implementations • 18 Feb 2018 • Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham

Meanwhile, new molecular imaging devices which allowed mankind to characterize the physical 3D molecular structure have been recently introduced, and it can be used to remedy the limitations of existing drug test kits.