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1.
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family.
J Chem Inf Model
; 64(6): 1841-1852, 2024 Mar 25.
Artículo
en Inglés
| 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.
Artículo
en Inglés
| MEDLINE | ID: mdl-35946598
3.
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa.
Bioorg Chem
; 109: 104745, 2021 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-33640629
4.
Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning.
Int J Mol Sci
; 22(21)2021 Oct 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-34768951
5.
PTML Model for Selection of Nanoparticles, Anticancer Drugs, and Vitamins in the Design of Drug-Vitamin Nanoparticle Release Systems for Cancer Cotherapy.
Mol Pharm
; 17(7): 2612-2627, 2020 07 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-32459098
6.
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks.
J Chem Inf Model
; 59(3): 1109-1120, 2019 03 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-30802402
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.
Artículo
en Inglés
| MEDLINE | ID: mdl-29898360
8.
Data Analysis in Chemistry and Bio-Medical Sciences.
Int J Mol Sci
; 17(12)2016 Dec 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27983646
9.
On the additive artificial intelligence-based discovery of nanoparticle neurodegenerative disease drug delivery systems.
Beilstein J Nanotechnol
; 15: 535-555, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38774585
10.
Warfarin-A natural anticoagulant: A review of research trends for precision medication.
Phytomedicine
; 128: 155479, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38493714
11.
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products.
J Cheminform
; 16(1): 9, 2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38254200
12.
Machine learning guided prediction of warfarin blood levels for personalized medicine based on clinical longitudinal data from cardiac surgery patients: a prospective observational study.
Int J Surg
; 2024 Jun 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-38833337
13.
OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues.
Adv Sci (Weinh)
; 11(13): e2305177, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-38258479
14.
Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy.
Biomed Pharmacother
; 174: 116602, 2024 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-38636396
15.
MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDLr Missense Variants.
JACC Basic Transl Sci
; 6(11): 815-827, 2021 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-34869944
16.
Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML).
ACS Chem Neurosci
; 12(1): 203-215, 2021 01 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33347281
17.
Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents.
Eur J Med Chem
; 220: 113458, 2021 Aug 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33901901
18.
Pollutants in Organic Chemistry and Medicinal Chemistry Education Laboratory. Experimental and Machine Learning Studies.
Curr Top Med Chem
; 20(9): 720-730, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-32066360
19.
Predicting coated-nanoparticle drug release systems with perturbation-theory machine learning (PTML) models.
Nanoscale
; 12(25): 13471-13483, 2020 Jul 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-32613998
20.
PTML Model of ChEMBL Compounds Assays for Vitamin Derivatives.
ACS Comb Sci
; 22(3): 129-141, 2020 03 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32011854