Detalhe da pesquisa
1.
Rethinking the applicability domain analysis in QSAR models.
J Comput Aided Mol Des
; 38(1): 9, 2024 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38351144
2.
ElectroPredictor: An Application to Predict Mayr's Electrophilicity E through Implementation of an Ensemble Model Based on Machine Learning Algorithms.
J Chem Inf Model
; 63(2): 507-521, 2023 01 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36594600
3.
Ecotoxicity of pesticide formulations and their mixtures: the case of potato crops in Costa Rica.
Ecotoxicology
; 32(3): 383-393, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-36995476
4.
Elucidating the Racemization Mechanism of Aliphatic and Aromatic Amino Acids by In Silico Tools.
Int J Mol Sci
; 24(15)2023 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37569252
5.
Hydrogel for the Controlled Delivery of Bioactive Components from Extracts of Eupatorium glutinosum Lam. Leaves.
Molecules
; 28(4)2023 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36838578
6.
On-farm Occurrence of Pharmaceuticals and Their Environmental Hazard: Case Study of a Tropical Dairy farm.
Bull Environ Contam Toxicol
; 111(4): 51, 2023 Sep 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37752279
7.
Naâ¯B bond in NaBH 3 - : An induced spin-polarized bond.
Chemphyschem
; 23(1): e202100676, 2022 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34708497
8.
Effect of the Nucleophile's Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study.
Int J Mol Sci
; 22(13)2021 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34206795
9.
In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2.
Molecules
; 26(4)2021 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33669720
10.
Synthesis, In Vitro, and In Silico Analysis of the Antioxidative Activity of Dapsone Imine Derivatives.
Molecules
; 26(19)2021 Sep 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34641292
11.
Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches.
Chem Res Toxicol
; 33(7): 1855-1873, 2020 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32406679
12.
A case of intraplacental gestational choriocarcinoma; characterised by the methylation pattern of the early placenta and an absence of driver mutations.
BMC Cancer
; 19(1): 744, 2019 Jul 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-31357948
13.
Modeling the Antileukemia Activity of Ellipticine-Related Compounds: QSAR and Molecular Docking Study.
Molecules
; 25(1)2019 Dec 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31861689
14.
New Insight into the Chloroacetanilide Herbicide Degradation Mechanism through a Nucleophilic Attack of Hydrogen Sulfide.
Int J Mol Sci
; 19(10)2018 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30241401
15.
Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity.
Molecules
; 23(12)2018 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30513742
16.
Integrated QTL detection for key breeding traits in multiple peach progenies.
BMC Genomics
; 18(1): 404, 2017 06 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28583082
17.
Transforming a Stable Amide into a Highly Reactive One: Capturing the Essence of Enzymatic Catalysis.
Angew Chem Int Ed Engl
; 56(19): 5345-5348, 2017 05 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-28378430
18.
New light on phosphate transfer from triesters.
Biochim Biophys Acta
; 1834(1): 454-63, 2013 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-22575086
19.
Photoelectrocatalytic degradation of high-density polyethylene microplastics on TiO2-modified boron-doped diamond photoanode.
iScience
; 27(3): 109192, 2024 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38433924
20.
Pharmaceuticals, hazard and ecotoxicity in surface and wastewater in a tropical dairy production area in Latin America.
Chemosphere
; 346: 140443, 2024 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-38303394