The Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro Data by Sedat Karabulut, Basel Mansour, Gerardo M. Casanola-Martin, Bakhtiyor Rasulev, James W. Gauld

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In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach by Amirreza Daghighi, Gerardo M. Casanola-Martin, Troy Timmerman, Dejan Milenković, Bono Lučić, Bakhtiyor Rasulev

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Machine learning analysis of a large set of homopolymers to predict glass transition temperatures by Gerardo M. Casanola-Martin, Anas Karuth, Hai Pham-The, Humbert González-Díaz, Dean C. Webster, Bakhtiyor Rasulev

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NANO.PTML model for read-across prediction of nanosystems in neurosciences. computational model and experimental case of study by Shan He, Karam Nader, Julen Segura Abarrategi, Harbil Bediaga, Deyani Nocedo-Mena, Estefania Ascencio, Gerardo M. Casanola-Martin, Idoia Castellanos-Rubio, Maite Insausti, Bakhtiyor Rasulev, Sonia Arrasate, Humberto González-Díaz

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Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease by Le-Quang Bao, Daniel Baecker, Do Thi Mai Dung, Nguyen Phuong Nhung, Nguyen Thi Thuan, Phuong Linh Nguyen, Phan Thi Phuong Dung, Tran Thi Lan Huong, Bakhtiyor Rasulev, Gerardo M. Casanola-Martin, Nguyen-Hai Nam, Hai Pham-The

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Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands by Phan Thi Diem-Tran, Tue-Tam Ho, Nguyen-Van Tuan, Le-Quang Bao, Ha Tran Phuong, Trinh Thi Giao Chau, Hoang Thi Binh Minh, Cong-Truong Nguyen, Zulayho Smanova, Gerardo M. Casanola-Martin, Bakhtiyor Rasulev, Hai Pham-The, Le Canh Viet Cuong

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