Impact of Aqueous Extract Artemisia Herba-Alba Leaves as a Green Inhibitor against Acid Activation of 2024 Aluminum Alloy by Nacer Hechiche, Gérald Culioli, Abdelaziz Kadri, Dalila Boughrara, Amar Saal, F. Xavier Perrin

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Comparison of Machine Learning Classification Methods for Determining the Geographical Origin of Raw Milk Using Vibrational Spectroscopy by Aimen El Orche, Amine Mamad, Omar Elhamdaoui, Amine Cheikh, Miloud El Karbane, Mustapha Bouatia

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Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs by Chun-Yuan Lin, Chung-Hung Wang, Che-Lun Hung, Yu-Shiang Lin

“…Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. …”
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Unravelling the Methylene Blue Adsorption Mechanism on Doped and Nondoped Polyaniline: A Combined Molecular Modeling and Experimental Investigation by Souad Djellali, Amani Touati, Abderrahmane Semmeq, Maya Kebaili, Michael Badawi, Adrián Bonilla-Petriciolet

“…A multiscale investigation including computational chemistry calculations and experimental studies was performed to elucidate and understand the methylene blue (MB) adsorption on polyaniline (PANI) from an aqueous solution. …”
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Developing a Robust Model Based on the Gaussian Process Regression Approach to Predict Biodiesel Properties by Inna Pustokhina, Amir Seraj, Hafsan Hafsan, Seyed Mojtaba Mostafavi, S. M. Alizadeh

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A Green Approach to the Production of Hybrid Diindolylmethane-Phenylboronic Acids via a 3MCR: Promising Antineoplasic Molecules by Mónica Zarco Juarez, Joel Omar Martínez, Olivia Noguez Cordova, María Inés Nicolás Vazquez, Teresa Ramírez-Apan, Javier Pérez Flores, René Miranda Ruvalcaba, Gabriel Arturo Arroyo Razo

“…Finally, the products were also analyzed using computational chemistry in order to determine their most stable geometries and reactivities by computing the respective molecular electrostatic potentials.…”
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Structural tailoring of etoricoxib: A spectrochemical, medicinal and pharmacological study by Bakul Akter, Silvia Aishee, Abdullah Hridoy, Md. Mehedi Hasan Pulok, Mohammad Ariful Islam, Antu Biswas, Aurna Patwary, Majedul Hoque, MD. Sazidul Islam, Md. Nipatul Hasan Nirob, Faisal Islam Chowdhury, Monir Uzzaman

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