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The Journal of Physical Chemistry. A|October 7, 2015
Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs ExperimentYulun Han, Qingguo Meng, Bakhtiyor Rasulev, et al.
Current Topics in Medicinal Chemistry|April 2, 2021
Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) ModelsKarel Diéguez-Santana, Gerardo M Casañola-Martin, James R Green, et al.
The Science of the Total Environment|April 11, 2025
First report on Quantitative Structure-Toxicity Relationship modeling approaches for the prediction of acute toxicity of various organic chemicals against rotifer speciesKarel Diéguez-Santana, Gerardo M Casanola-Martin, Roldan Torres-Gutiérrez, et al.
Journal of Chemical Theory and Computation|June 27, 2017
Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl ComplexesYulun Han, Qingguo Meng, Bakhtiyor Rasulev, et al.
Analytical and Bioanalytical Chemistry|September 4, 2020
Detection of macromolecular inversion-induced structural changes in osteosarcoma cells by FTIR microspectroscopyVitalii Serdiuk, Kristen L Shogren, Tetiana Kovalenko, et al.
Foods (Basel, Switzerland)|July 13, 2024
Phenolic Acid-β-Cyclodextrin Complexation Study to Mask Bitterness in Wheat Bran: A Machine Learning-Based QSAR StudyKweeni Iduoku, Marvellous Ngongang, Jayani Kulathunga, et al.
Environmental Science & Technology|May 27, 2024
Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning ModelingAmirreza Daghighi, Gerardo M Casanola-Martin, Kweeni Iduoku, et al.
The Journal of Physical Chemistry Letters|January 8, 2024
Combined Machine Learning, Computational, and Experimental Analysis of the Iridium(III) Complexes with Red to Near-Infrared EmissionAnas Karuth, Gerardo M Casanola-Martin, Levi Lystrom, et al.
Journal of Food and Drug Analysis|September 16, 2017
Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approachesHayriye Yilmaz, Natalia Sizochenko, Bakhtiyor Rasulev, et al.
Natural Product Research|April 21, 2025
Secondary metabolites of <i>Silene claviformis</i> Litv. and the anti-inflammatory activity of its butanol extractAlisher Khurramov, Ugiloy Yusupova, Khayrulla Bobakulov, et al.
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