Gerardo M. Casañola‐Martín

North Dakota State University

22H指数

106论文数

1.3K被引数

收录论文 29

发表时间

Dry Selection and Wet Evaluation of New 1,2-Disubstituted Nitroindazolin-3-One Derivatives as Promising Agents Against Trypanosoma cruzi 干法筛选和湿法评价新型1,2-二取代硝基吲唑烷-3-酮衍生物作为抗克氏锥虫的潜在药物

Pharmaceuticals

IF4.8

2026-09-18

OAAI

Juan A. Castillo-Garit; Josue Pozo-Martinez; Esteban Rocha-Valderrama; Cristian Rojas-Peña; Karen Acosta-Quiroga; Vicente J. Arán; Claudio Olea-Azar; Gerardo M. Casañola-Martin; Bakhtiyor Rasulev; Francisco Torrens; Facundo Pérez-Giménez; Mauricio Moncada-Basualto

Beyond α-Glucosidase and α-Amylase Inhibition: Integrated In Vitro and Multi-Scale In Silico Insights into the Antidiabetic and Antioxidant Mechanisms of Oxalis corniculata L. Aerial Parts 超越α-葡萄糖苷酶和α-淀粉酶抑制：Oxalis corniculata L.地上部分的降血糖和抗氧化机制的体外与多尺度计算机模拟综合研究

Molecules

IF4.6

2026-02-12

OAAI

Thi-Van-Anh Nguyen; Duong Quang Quy; Nguyen Thanh Tung; Nguyen Thu Huyen; Pham Le Minh; Nguyen T. Minh Huyen; Tue-Tam Ho; Nguyen Thi Thu Ha; Gerardo M. Casanola-Martin; Bakhtiyor Rasulev; Hai Pham-The

AQUA Tox: A web tool for predicting aquatic toxicity in rotifer species using intrinsic explainable models AQUA Tox：一种用于预测轮虫物种水生毒性的网络工具，采用内在可解释模型

JOURNAL OF HAZARDOUS MATERIALS

IF11.3

2025-07-01

PREAI

Dieguez-Santana, Karel; Casanola-Martin, Gerardo M.; Torres-Gutierrez, Roldan; Rasulev, Bakhtiyor

Volatile Compositional Profile, Antioxidant Properties, and Molecular Docking of Ethanolic Extracts from Philodendron heleniae

MOLECULES

IF4.6

2025-03-18

OAAI

Ochoa-Ocampo, Melanie; de los Monteros-silva, Nina Espinosa; Pastuna-Fasso, Jefferson V.; Sacoto, Juan Diego; Penuela-Mora, Maria Cristina; Casanola-Martin, Gerardo; Almeida, Jose R.; Dieguez-Santana, Karel; Mogollon, Noroska G. S.

Drug Release Nanoparticle System Design: Data Set Compilation and Machine Learning Modeling 药物释放纳米颗粒系统设计: 数据集编译和机器学习建模

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2025-01-13

PREAI

He, S; Barón, A; Munteanu, CR; de Bilbao, B; Casañola-Martin, GM; Chelu, M; Musuc, AM; Bediaga, H; Ascencio, E; Castellanos-Rubio, I; Arrasate, S; Pazos, A; Insausti, M; Rasulev, B; González-Díaz, H

Machine learning analysis of a large set of homopolymers to predict glass transition temperatures

COMMUNICATIONS CHEMISTRY

IF6.2

2024-10-02

OAAI

Casanola-Martin, Gerardo M.; Karuth, Anas; Pham-The, Hai; Gonzalez-Diaz, Humbert; Webster, Dean C.; Rasulev, Bakhtiyor

Enhancing Plant Protein-Based Bioplastics with Natural Additives: A Comprehensive Study by Experimental and Computational Approaches

ACS SUSTAINABLE CHEMISTRY & ENGINEERING

IF7.3

2024-09-27

PREAI

Shevtsova, Tetiana; Iduoku, Kweeni; Setien, Kristen Patnode; Olabode, Inioluwa; Casanola-Martin, Gerardo M.; Rasulev, Bakhtiyor; Voronov, Andriy

Integrated machine learning, computational, and experimental investigation of compatibility in oil-modified silicone elastomer coatings 油改性有机硅弹性体涂料中兼容性的集成机器学习，计算和实验研究

PROGRESS IN ORGANIC COATINGS

IF7.3

2024-08-01

PREAI

Karuth, Anas; Szwiec, Stephen; Casanola-Martin, Gerardo M.; Khanam, Achiya; Safaripour, Maryam; Boucher, David; Xia, Wenjie; Webster, Dean C.; Rasulev, Bakhtiyor

Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning Modeling

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2024-05-27

PREAI

Daghighi, Amirreza; Casanola-Martin, Gerardo M.; Iduoku, Kweeni; Kusic, Hrvoje; Gonzalez-Diaz, Humberto; Rasulev, Bakhtiyor

Quantitative Structure-Permittivity Relationship Study of a Series of Polymers

acs nanoscience au

IF6.5

2024-01-09

OAAI

Zhuravskyi, Yevhenii; Iduoku, Kweeni; Erickson, Meade E.; Karuth, Anas; Usmanov, Durbek; Casanola-Martin, Gerardo; Sayfiyev, Maqsud N.; Ziyaev, Dilshod A.; Smanova, Zulayho; Mikolajczyk, Alicja; Rasulev, Bakhtiyor

Design and evaluation of nanoscale materials with programmed responsivity towards epigenetic enzymes

JOURNAL OF MATERIALS CHEMISTRY B

IF5.7

2024-01-01

OAAI

Ray, Priyanka; Sedigh, Abbas; Confeld, Matthew; Alhalhooly, Lina; Iduoku, Kweeni; Casanola-Martin, Gerardo M.; Pham-The, Hai; Rasulev, Bakhtiyor; Choi, Yongki; Yang, Zhongyu; Mallik, Sanku; Quadir, Mohiuddin

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

TOXICS

IF4.1

2023-07-07

OAAI

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

Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer's Disease 开发活性规则和化学片段设计用于在计算机上发现AChE和BACE1双重抑制剂抗阿尔茨海默病

MOLECULES

IF4.6

2023-04-20

OAAI

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. M.; Nam, Nguyen-Hai; Pham-The, Hai

Exploring proteasome inhibition using atomic weighted vector indices and machine learning approaches

MOLECULAR DIVERSITY

IF3.8

2023-04-05

PREAI

Martinez-Lopez, Yoan; Castillo-Garit, Juan A.; Casanola-Martin, Gerardo M.; Rasulev, Bakhtiyor; Rodriguez-Gonzalez, Ansel Y.; Martinez-Santiago, Oscar; Barigye, Stephen J.

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

TOXICS

IF4.1

2022-12-01

OAAI

Daghighi, Amirreza; Casanola-Martin, Gerardo M.; Timmerman, Troy; Milenkovic, Dejan; Lucic, Bono; Rasulev, Bakhtiyor

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

MOLECULES

IF4.6

2022-10-11

OAAI

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

Beyond model interpretability using LDA and decision trees for α-amylase and α-glucosidase inhibitor classification studies

CHEMICAL BIOLOGY & DRUG DESIGN

IF3.3

2019-05-16

PREAI

Dieguez-Santana, Karel; Rivera-Borroto, Oscar M.; Puris, Amilkar; Hai Pham-The; Huong Le-Thi-Thu; Rasulev, Bakhtiyor; Casanola-Martin, Gerardo M.

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

NANOMATERIALS

IF4.3

2017-11-11

OAAI

Gonzalez-Durruthy, Michael; Monserrat, Jose M.; Rasulev, Bakhtiyor; Casanola-Martin, Gerardo M.; Barreiro Sorrivas, Jose Maria; Paraiso-Medina, Sergio; Maojo, Victor; Gonzalez-Diaz, Humberto; Pazos, Alejandro; Munteanu, Cristian R.

Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling

MOLECULAR DIVERSITY

IF3.8

2015-12-07

PREAI

Hai Pham-The; Casanola-Martin, Gerardo; Garrigues, Teresa; Bermejo, Marival; Gonzalez-Alvarez, Isabel; Nam Nguyen-Hai; Angel Cabrera-Perez, Miguel; Le-Thi-Thu, Huong

Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2015-05-01

PREAI

Alberto Castillo-Garit, Juan; del Toro-Cortes, Oremia; Vega, Maria C.; Rolon, Miriam; Rojas de Arias, Antonieta; Casanola-Martin, Gerardo M.; Escario, Jose A.; Gomez-Barrio, Alicia; Marrero-Ponce, Yovani; Torrens, Francisco; Abad, Concepcion

研究方向