Abstract
Computational toxicology is a rapidly developing field that uses
computational logarithms and mathematical models for a better understanding of the
toxicity of compounds and test systems. This recent branch is a combination of various
fields encompassing chemistry, computer science, biology, biochemistry, mathematics,
and engineering. This chapter focuses on the usage of computational toxicology in
various fields. This multifaceted field finds application in almost every pharmaceutical
and industrial process which in turn offers safer environmental practices.
Computational toxicology has revolutionized the field of drug discovery as it has
helped in the production of significantly efficient drug molecules through time-saving
and cost-effective methods. It has also proved a boon for various industries ranging
from often-used cosmetics to daily-use food products, as toxicological assessment of
chemical constituents in them provides quicker and safer production. All these
computational assessments thereby save a lot of chemical wastage and thus give a
helping hand in exercising healthy environmental practices. Besides this, pollutant
categorization and waste management through computational tools have also been
favoured by many agencies that work for environmental sustainability. Thus, to sum
up, computational technology has completely transformed the processes and practices
followed in pharmaceutics, environment protection and industries, and paved the way
for efficient, cost-effective, and less hazardous routes.
Keywords: Computational toxicology, Drug discovery, Environment, Industry, Pharmaceutics.
