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Nanoscale|July 12, 2017
Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purposeLucky Ahmed, Bakhtiyor Rasulev, Supratik Kar, et al.
Molecules (Basel, Switzerland)|October 27, 2022
The Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro DataSedat Karabulut, Basel Mansour, Gerardo M Casanola-Martin, et al.
Molecules (Basel, Switzerland)|March 29, 2023
Structural Features Promoting Photocatalytic Degradation of Contaminants of Emerging Concern: Insights into Degradation Mechanism Employing QSA/PR ModelingAntonija Tomic, Marin Kovacic, Hrvoje Kusic, et al.
Journal of Molecular Modeling|December 12, 2024
Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds: density functional theory and quantitative structure-property relationship modelingGerardo M Casanola-Martin, Jing Wang, Jian-Ge Zhou, et al.
Chirality|November 29, 2011
Use of quantitative structure-enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compoundsBakhtiyor Rasulev, Malakhat Turabekova, Magdalena Gorska, et al.
Toxics|December 22, 2022
In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR ApproachAmirreza Daghighi, Gerardo M Casanola-Martin, Troy Timmerman, et al.
Nanotoxicology|July 2, 2014
Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studiesAgnieszka Gajewicz, Nicole Schaeublin, Bakhtiyor Rasulev, et al.
ACS Applied Materials & Interfaces|December 17, 2016
Polymer Coating Materials and Their Fouling Release Activity: A Cheminformatics Approach to Predict PropertiesBakhtiyor Rasulev, Farukh Jabeen, Shane Stafslien, et al.
Journal of Hazardous Materials|March 29, 2025
AQUA Tox: A web tool for predicting aquatic toxicity in rotifer species using intrinsic explainable modelsKarel Diéguez-Santana, Gerardo M Casanola-Martin, Roldan Torres-Gutiérrez, et al.
Advanced Drug Delivery Reviews|June 6, 2012
Advancing risk assessment of engineered nanomaterials: application of computational approachesAgnieszka Gajewicz, Bakhtiyor Rasulev, Tandabany C Dinadayalane, et al.
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