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The Journal of Physical Chemistry Letters|August 3, 2021
Hot Carrier Dynamics at Ligated Silicon(111) Surfaces: A Computational StudyYulun Han, Kweeni Iduoku, Gena Grant, et al.
Environment International|January 15, 2019
Key structural features promoting radical driven degradation of emerging contaminants in waterMatija Cvetnić, Mirjana Novak Stankov, Marin Kovačić, et al.
Chemical Biology & Drug Design|March 26, 2019
Beyond model interpretability using LDA and decision trees for α-amylase and α-glucosidase inhibitor classification studiesKarel Diéguez-Santana, Oscar M Rivera-Borroto, Amilkar Puris, et al.
Nature Nanotechnology|February 15, 2011
Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticlesTomasz Puzyn, Bakhtiyor Rasulev, Agnieszka Gajewicz, et al.
International Journal of Molecular Sciences|September 28, 2023
Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene DerivativesNatalja Fjodorova, Marjana Novič, Katja Venko, et al.
Scientific Reports|August 30, 2019
Adaptive Properties of the Genetically Encoded Amino Acid Alphabet Are Inherited from Its SubsetsMelissa Ilardo, Rudrarup Bose, Markus Meringer, et al.
Computational and Structural Biotechnology Journal|March 4, 2022
How fullerene derivatives (FDs) act on therapeutically important targets associated with diabetic diseasesNatalja Fjodorova, Marjana Novič, Katja Venko, et al.
Molecular Diversity|April 5, 2023
Exploring proteasome inhibition using atomic weighted vector indices and machine learning approachesYoan Martínez-López, Juan A Castillo-Garit, Gerardo M Casanola-Martin, et al.
Current Topics in Medicinal Chemistry|December 1, 2018
In Silico Assessment of ADME Properties: Advances in Caco-2 Cell Monolayer Permeability ModelingHai Pham-The, Miguel Á Cabrera-Pérez, Nguyen-Hai Nam, et al.
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