Impact of pharmaceuticals on the environment: risk assessment using QSAR modeling approach

S Kar, K Roy, J Leszczynski - Computational toxicology: methods and …, 2018 - Springer
An extensive use of pharmaceuticals and the widespread practices of their erroneous
disposal measures have made these products contaminants of emerging concern (CEC) …

PBT assessment and prioritization of contaminants of emerging concern: Pharmaceuticals

A Sangion, P Gramatica - Environmental research, 2016 - Elsevier
The strong and widespread use of pharmaceuticals, together with incorrect disposal
procedures, has recently made these products contaminants of emerging concern (CEC) …

Hazard of pharmaceuticals for aquatic environment: prioritization by structural approaches and prediction of ecotoxicity

A Sangion, P Gramatica - Environment International, 2016 - Elsevier
Abstract Active Pharmaceutical Ingredients (APIs) are recognized as Contaminants of
Emerging Concern (CEC) since they are detected in the environment in increasing amount …

In silico models for ecotoxicity of pharmaceuticals

K Roy, S Kar - In Silico Methods for Predicting Drug Toxicity, 2016 - Springer
Pharmaceuticals and their active metabolites are one of the significantly emerging
environmental toxicants. The major routes of entry of pharmaceuticals into the environment …

Aquatic ecotoxicity of personal care products: QSAR models and ranking for prioritization and safer alternatives' design

P Gramatica, S Cassani, A Sangion - Green Chemistry, 2016 - pubs.rsc.org
Personal Care Product (PCP) ingredients, widely used all over the world, over the last few
years have become chemicals of increasing environmental concern, mainly because they …

Ecotoxicity interspecies QAAR models from Daphnia toxicity of pharmaceuticals and personal care products

A Sangion, P Gramatica - SAR and QSAR in Environmental …, 2016 - Taylor & Francis
Abstract Pharmaceutical and Personal Care Products (PPCPs) became a class of
contaminants of emerging concern because are ubiquitously detected in surface water and …

Identification of potential PBT behavior of personal care products by structural approaches

S Cassani, P Gramatica - Sustainable Chemistry and Pharmacy, 2015 - Elsevier
Several organic ingredients in personal care products (PCPs) became recently compounds
of increasing environmental concern, being frequently detected mainly in receiving waters …

Consensus QSAR modeling of toxicity of pharmaceuticals to different aquatic organisms: ranking and prioritization of the DrugBank database compounds

K Khan, E Benfenati, K Roy - Ecotoxicology and environmental safety, 2019 - Elsevier
In the present work, quantitative structure-activity relationship (QSAR) models have been
developed for ecotoxicity of pharmaceuticals on four different aquatic species namely …

In silico approaches to explore toxicity end points: issues and concerns for estimating human health effects

EJ Matthews, JF Contrera - Expert Opinion on Drug Metabolism & …, 2007 - Taylor & Francis
The European Chemicals Bureau and the Organisation for Economic Cooperation and
Development are currently compiling a sanctioned list of quantitative structure–activity …

Risk assessment for ecotoxicity of pharmaceuticals–an emerging issue

S Kar, K Roy - Expert opinion on drug safety, 2012 - Taylor & Francis
Introduction: Existence of a large amount of pharmaceuticals and their active metabolites in
the environment has recently been considered as one of the most serious concerns in …