Enhancing molecular safety and health assessment: Via index smoothing and prioritisation

• Main Authors: Ten, Joon Yoon, Hassim, Mimi H., Promentilla, Michael Angelo B., Tan, Raymond Girard R., Ng, Denny K.S., Chemmangattuvalappil, Nishanth G.
• Format: text
• Published: Animo Repository 2018
• Subjects: Molecular structure; Computer-aided design; Chemicals—Safety measures; Chemicals—Law and legislation; Chemical Engineering
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/4483
• Institution: De La Salle University

In recent decades, safety and health aspects have received much attention in the field of computer-aided molecular design (CAMD). To satisfy the more stringent requirements of regulating agencies, a product must not only achieve its desired function as defined by the customers but also meet safety a...