Quantitative read-across structure-property relationship (q-RASPR): a novel approach to estimate the bioaccumulative potential for diverse classes of industrial chemicals in aquatic organisms.

Autor: Bhattacharyya P; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. probirojha@yahoo.co.in., Samanta P; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. probirojha@yahoo.co.in., Kumar A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. probirojha@yahoo.co.in., Das S; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. probirojha@yahoo.co.in., Ojha PK; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. probirojha@yahoo.co.in.

Publikováno v: Environmental science. Processes & impacts [Environ Sci Process Impacts] 2024 Nov 01. Date of Electronic Publication: 2024 Nov 01.

Ecotoxicological risk assessment of active pharmaceutical ingredients (APIs) against different aquatic species leveraging intelligent consensus prediction and i-QSTTR modeling.

Autor: Samanta P; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Bhattacharyya P; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Samal A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Kumar A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Bhattacharjee A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Ojha PK; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. Electronic address: probirojha@yahoo.co.in.

Publikováno v: Journal of hazardous materials [J Hazard Mater] 2024 Oct 09; Vol. 480, pp. 136110. Date of Electronic Publication: 2024 Oct 09.

First report on regression-based QSAR addressing pesticide dissipation half-life in plants: A step towards sustainable public health.

Autor: Kumar A; Drug Discovery and Development Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Ojha PK; Drug Discovery and Development Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. Electronic address: probirojha@yahoo.co.in., Roy K; Drug Theoretics and Cheminformatics (DTC) Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. Electronic address: kunal.roy@jadavpuruniversity.in.

Publikováno v: The Science of the total environment [Sci Total Environ] 2024 Dec 01; Vol. 954, pp. 176175. Date of Electronic Publication: 2024 Sep 11.

Modelling lethality and teratogenicity of zebrafish ( Danio rerio ) due to β-lactam antibiotics employing the QSTR approach.

Autor: Nath A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India., Ojha PK; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India., Roy K; Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.

Publikováno v: SAR and QSAR in environmental research [SAR QSAR Environ Res] 2024 Jul; Vol. 35 (7), pp. 565-589. Date of Electronic Publication: 2024 Jul 29.

Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation.

Autor: Bhattacharjee A; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India., Kar S; Chemometrics and Molecular Modeling Laboratory, Department of Chemistry and Physics, Kean University, 1000 Morris Avenue, Union, NJ, 07083, USA., Ojha PK; Drug Discovery and Development Laboratory (DDD Lab), Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India. Electronic address: probirojha@yahoo.co.in.

Publikováno v: International journal of biological macromolecules [Int J Biol Macromol] 2024 Jun; Vol. 269 (Pt 1), pp. 131784. Date of Electronic Publication: 2024 Apr 30.