The use of active pharmaceutical ingredients (APIs) and personal care products (PCPs) is
growing day by day all over the world. Thus, these materials have appeared as …

Biotransformation refers to the metabolic conversion of endogenous and xenobiotic
chemicals into more hydrophilic substances. Xenobiotic biotransformation is accomplished …

In this chapter we will present alvaDesc, a software to calculate and analyze molecular
descriptors and fingerprints. Molecular descriptors and fingerprints play an essential role in …

Fused and non-fused polycyclic aromatic hydrocarbons (FNFPAHs) are a type of organic
compounds widely occurring in the environment that pose a potential hazard to ecosystem …

In the present work, quantitative structure-activity relationship (QSAR) models have been
developed for ecotoxicity of pharmaceuticals on four different aquatic species namely …

In the recent years, ecotoxicological hazard potential of biocidal products has been
receiving increasing attention in the industries and regulatory agencies. Biocides/pesticides …

This study reports highly robust externally predictive quantitative structure-toxicity
relationship (QSTR) and interspecies quantitative structure-toxicity-toxicity (i-QSTTR) models …

Nitroaromatic compounds (NACs) in the environment can cause serious public health and
environmental problems due to their potential toxicity. This study established quantitative …

Organic compounds (OCs) constitute an enormously large class of highly persistent and
toxic chemicals widely used for various purposes throughout the world. Their increased …

Over the past few years, the ecotoxicological hazard potential of agrochemicals has
received much attention in the industries and regulatory agencies. In the current work, we …