Browsing by Author "Denny, Ng K.S."
Now showing items 1-1 of 1
-
Integrating safety and health indexes in computer-aided molecular design under property prediction uncertainty
Joon, Yoon Ten; Lik, Yin Ng; Mimi, H. Hassim; Denny, Ng K.S.; G. Chemmangattuvalappil, Nishanth (The Institution of Engineers, Malaysia (IEM), 2017-06)Computer-Aided Molecular Design (CAMD) is a powerful tool for designing promising molecules with the targeted properties. Besides properties, the safety and health aspects must also be considered during design stage to ...