The Hydrolysis Rate of Paraoxonase-1 Q and R Isoenzymes: An In Silico Study Based on In Vitro Data

por Karabulut, Sedat, Mansour, Basel, Casanola-Martin, Gerardo M., Rasulev, Bakhtiyor, Gauld, James W.
Publicado 2022

In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach

por Daghighi, Amirreza, Casanola-Martin, Gerardo M., Timmerman, Troy, Milenković, Dejan, Lučić, Bono, Rasulev, Bakhtiyor
Publicado 2022

Machine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds

por Diéguez-Santana, Karel, Casañola-Martin, Gerardo M., Torres, Roldan, Rasulev, Bakhtiyor, Green, James R., González-Díaz, Humbert
Publicado 2022

Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra

por González-Durruthy, Michael, Monserrat, Jose M., Rasulev, Bakhtiyor, Casañola-Martín, Gerardo M., Barreiro Sorrivas, José María, Paraíso-Medina, Sergio, Maojo, Víctor, González-Díaz, Humberto, Pazos, Alejandro, Munteanu, Cristian R.
Publicado 2017

Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease

por Bao, Le-Quang, Baecker, Daniel, Mai Dung, Do Thi, Phuong Nhung, Nguyen, Thi Thuan, Nguyen, Nguyen, Phuong Linh, Phuong Dung, Phan Thi, Huong, Tran Thi Lan, Rasulev, Bakhtiyor, Casanola-Martin, Gerardo M., Nam, Nguyen-Hai, Pham-The, Hai
Publicado 2023

Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands

por Diem-Tran, Phan Thi, Ho, Tue-Tam, Tuan, Nguyen-Van, Bao, Le-Quang, Phuong, Ha Tran, Chau, Trinh Thi Giao, Minh, Hoang Thi Binh, Nguyen, Cong-Truong, Smanova, Zulayho, Casanola-Martin, Gerardo M., Rasulev, Bakhtiyor, Pham-The, Hai, Cuong, Le Canh Viet
Publicado 2023