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1.
Prediction reliability of QSAR models: an overview of various validation tools.
Arch Toxicol
; 96(5): 1279-1295, 2022 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35267067
2.
New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques.
J Chem Inf Model
; 59(10): 4070-4076, 2019 10 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-31525295
3.
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.
J Chem Inf Model
; 59(6): 2538-2544, 2019 06 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-31083984
4.
In vitro evaluation and in silico screening of synthetic acetylcholinesterase inhibitors bearing functionalized piperidine pharmacophores.
Bioorg Med Chem
; 23(15): 4567-4575, 2015 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-26105711
5.
G4-QuadScreen: A Computational Tool for Identifying Multi-Target-Directed Anticancer Leads against G-Quadruplex DNA.
Cancers (Basel)
; 15(15)2023 Jul 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-37568632
6.
3D-QSAR and molecular docking analysis of biphenyl amide derivatives as p38α mitogen-activated protein kinase inhibitors.
Mol Divers
; 16(2): 377-88, 2012 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-22228035
7.
Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach.
J Biomol Struct Dyn
; 37(5): 1282-1306, 2019 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-29578387
8.
How Precise Are Our Quantitative Structure-Activity Relationship Derived Predictions for New Query Chemicals?
ACS Omega
; 3(9): 11392-11406, 2018 Sep 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-31459245
9.
CADD Modeling of Multi-Target Drugs Against Alzheimer's Disease.
Curr Drug Targets
; 18(5): 522-533, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-26343117
10.
Exploring structural requirements of imaging agents against Aß plaques in Alzheimer's disease: a QSAR approach.
Comb Chem High Throughput Screen
; 18(4): 411-9, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-25747447
11.
Cytotoxic and Antioxidant Activity of a Set of Hetero Bicylic Methylthiadiazole Hydrazones: A Structure-Activity Study.
Int J Mol Cell Med
; 4(2): 128-37, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-26261802
12.
Advances in quantitative structure-activity relationship models of anti-Alzheimer's agents.
Expert Opin Drug Discov
; 9(6): 697-723, 2014 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-24754675
13.
Pharmacophore mapping-based virtual screening followed by molecular docking studies in search of potential acetylcholinesterase inhibitors as anti-Alzheimer's agents.
Biosystems
; 116: 10-20, 2014 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-24325852
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