Zobrazeno 1 - 10
of 58
pro vyhledávání: '"Gerardo M. Casañola-Martin"'
Autor:
Gerardo M. Casanola-Martin, Anas Karuth, Hai Pham-The, Humbert González-Díaz, Dean C. Webster, Bakhtiyor Rasulev
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-9 (2024)
Abstract Glass transition temperature of polymers, Tg, is an important thermophysical property, which sometimes can be difficult to measure experimentally. In this regard, data-driven machine learning approaches are important alternatives to assess T
Externí odkaz:
https://doaj.org/article/7c0fca52577e4891bc8ce99377e7d538
Autor:
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
Publikováno v:
Journal of Nanobiotechnology, Vol 22, Iss 1, Pp 1-19 (2024)
Abstract Neurodegenerative diseases involve progressive neuronal death. Traditional treatments often struggle due to solubility, bioavailability, and crossing the Blood-Brain Barrier (BBB). Nanoparticles (NPs) in biomedical field are garnering growin
Externí odkaz:
https://doaj.org/article/1db442ccc26140babd862363af7d847c
Autor:
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
Publikováno v:
Toxics, Vol 11, Iss 7, p 595 (2023)
Industrial wastewater often consists of toxic chemicals and pollutants, which are extremely harmful to the environment. Heavy metals are toxic chemicals and considered one of the major hazards to the aquatic ecosystem. Analytical techniques, such as
Externí odkaz:
https://doaj.org/article/12d157eca1f641e4975876b9cfa2c444
Autor:
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
Publikováno v:
Molecules, Vol 28, Iss 8, p 3588 (2023)
Multi-target drug development has become an attractive strategy in the discovery of drugs to treat of Alzheimer’s disease (AzD). In this study, for the first time, a rule-based machine learning (ML) approach with classification trees (CT) was appli
Externí odkaz:
https://doaj.org/article/8cfc16ca2eb94431aa56e4e89c8c4ffd
Autor:
Amirreza Daghighi, Gerardo M. Casanola-Martin, Troy Timmerman, Dejan Milenković, Bono Lučić, Bakhtiyor Rasulev
Publikováno v:
Toxics, Vol 10, Iss 12, p 746 (2022)
In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Structure–Activity Relationship (QSAR) models for the estimation of in vivo toxicity based on 50% lethal dose to rats (LD50). An initial set of 4885 mo
Externí odkaz:
https://doaj.org/article/08086581e8324c68aa866b28d3c00260
Autor:
Karel Diéguez-Santana, Gerardo M. Casañola-Martin, Roldan Torres, Bakhtiyor Rasulev, James R. Green, Humbert González-Díaz
Publikováno v:
Repositorio Universidad Regional Amazónica
Universidad Regional Amazónica
instacron:IKIAM
Universidad Regional Amazónica
instacron:IKIAM
Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial death. However, antibiotic resistance and the emergence of multidrug-resistant bacteria increase interest in understanding metabolic network (MN) mutations an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73e6093eb7fbc8eaa5cb01844fd17fab
https://doi.org/10.1021/acs.molpharmaceut.2c00029
https://doi.org/10.1021/acs.molpharmaceut.2c00029
The development of machine learning algorithms together with the availability of computational tools nowadays have given an increase in the application of artificial intelligence methodologies in different fields. However, the use of these machine le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eb8f6c471fc71c643cf4a2bc1ff7711a
https://doi.org/10.4018/978-1-6684-6291-1.ch003
https://doi.org/10.4018/978-1-6684-6291-1.ch003
Publikováno v:
International Journal of Quantitative Structure-Property Relationships. 5:80-88
Predictive modeling of the properties of polymers and polymeric materials is getting more attention, while it is still very complicated due to complexity of these materials. In this review, we discuss main applications of quantitative structure-prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f52c0f4722c00504f5c5426c7a6b59ed
https://doi.org/10.4018/ijqspr.2020010105
https://doi.org/10.4018/ijqspr.2020010105
Autor:
Oscar Miguel Rivera-Borroto, Huong Le-Thi-Thu, Bakhtiyor Rasulev, Gerardo M. Casañola-Martin, Hai Pham-The, Karel Diéguez-Santana, Amilkar Puris
Publikováno v:
Chemical Biology & Drug Design. 94:1414-1421
In this report are used two data sets involving the main antidiabetic enzyme targets α-amylase and α-glucosidase. The prediction of α-amylase and α-glucosidase inhibitory activity as antidiabetic is carried out using LDA and classification trees
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09e561740c09ee3cb774c0b0bdff8aa9
https://doi.org/10.1111/cbdd.13518
https://doi.org/10.1111/cbdd.13518
Publikováno v:
International Journal of Applied Nanotechnology Research. 4:1-7
The development of machine learning algorithms together with the availability of computational tools nowadays have given an increase in the application of artificial intelligence methodologies in different fields. However, the use of these machine le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0f6e22935f4be6347860c9d0015f9b05
https://doi.org/10.4018/ijanr.2019010101
https://doi.org/10.4018/ijanr.2019010101