QSAR modelling of organic dyes for their acute toxicity in Daphnia magna using 2D-descriptors

GK Jillella, K Roy - SAR and QSAR in Environmental Research, 2022 - Taylor & Francis
The present study reports quantitative structure-activity relationship (QSAR) models for 22
organic dyes spanning a broad chemical domain to predict their toxicity in Daphnia magna …

Recent advancements in QSAR and machine learning approaches for risk assessment of organic chemicals

PM Khan, GK Jillella, K Roy - QSAR in safety evaluation and risk …, 2023 - Elsevier
The chemical risk assessment process, which serves as the foundation for controlling the
hazards of chemical exposure, has a significant influence on the economy, the health of …

Chemometric modeling of toxicity of chemicals to tadpoles

K Khan, K Roy - Chemometrics and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
This chapter highlights the importance of modeling of tadpole toxicity in identification of
potent environmental contaminants using in silico techniques, mainly quantitative structure …

Chemometric Modeling of Toxicity of Chemicals to Marine Bacteria

K Khan, K Roy - Chemometrics and Cheminformatics in Aquatic …, 2021 - Wiley Online Library
The current chapter highlights the important biological functions carried out by marine
bacteria. In this context, many symbiotic associations of bacteria with other marine …

In Silico Models on Algal Cultivation and Processing: An Approach for Engineered Optimization

LH Hassan, I Ahmad, M El Sheekh… - Handbook of Research …, 2022 - igi-global.com
In modern system-level metabolic engineering, genome-wide metabolic reconstructions are
used as a systems-based framework for integrating and analyzing large “omics” data sets as …