Detalhe da pesquisa
1.
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family.
J Chem Inf Model
; 64(6): 1841-1852, 2024 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38466369
2.
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives.
J Chem Inf Model
; 62(16): 3928-3940, 2022 08 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35946598
3.
Prediction of acute toxicity of pesticides for Americamysis bahia using linear and nonlinear QSTR modelling approaches.
Environ Res
; 214(Pt 3): 113984, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35981614
4.
IFPTML Mapping of Drug Graphs with Protein and Chromosome Structural Networks vs. Pre-Clinical Assay Information for Discovery of Antimalarial Compounds.
Int J Mol Sci
; 22(23)2021 Dec 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34884870
5.
Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1).
Chem Res Toxicol
; 32(4): 566-577, 2019 04 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30868869
6.
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.
J Chem Inf Model
; 59(1): 86-97, 2019 01 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30408958
7.
Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies.
J Chem Inf Model
; 58(7): 1384-1396, 2018 07 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-29898360
8.
Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants.
J Chem Inf Model
; 57(5): 1029-1044, 2017 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28414908
9.
A study of the Immune Epitope Database for some fungi species using network topological indices.
Mol Divers
; 21(3): 713-718, 2017 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-28567560
10.
Data Analysis in Chemistry and Bio-Medical Sciences.
Int J Mol Sci
; 17(12)2016 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27983646
11.
Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental-Computational Study of NaGDC-DDAB Micelles.
Langmuir
; 31(44): 12009-18, 2015 Nov 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26484726
12.
Multi-output model with Box-Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin-proteasome pathway.
Mol Divers
; 19(2): 347-56, 2015 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-25754075
13.
A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain.
J Theor Biol
; 343: 16-24, 2014 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24269805
14.
Markov mean properties for cell death-related protein classification.
J Theor Biol
; 349: 12-21, 2014 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24491256
15.
Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors.
J Chem Inf Model
; 54(1): 16-29, 2014 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24320872
16.
ANN multiscale model of anti-HIV drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks.
J Chem Inf Model
; 54(3): 744-55, 2014 Mar 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24521170
17.
Computational tool for risk assessment of nanomaterials: novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions.
Environ Sci Technol
; 48(24): 14686-94, 2014 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25384130
18.
Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates.
Int J Mol Sci
; 15(9): 17035-64, 2014 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-25255029
19.
On the additive artificial intelligence-based discovery of nanoparticle neurodegenerative disease drug delivery systems.
Beilstein J Nanotechnol
; 15: 535-555, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38774585
20.
Warfarin-A natural anticoagulant: A review of research trends for precision medication.
Phytomedicine
; 128: 155479, 2024 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-38493714