Detalles de la búsqueda
1.
First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183.
Mol Divers
; 2024 Mar 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38460065
2.
Chronic aquatic toxicity assessment of diverse chemicals on Daphnia magna using QSAR and chemical read-across.
Regul Toxicol Pharmacol
; 148: 105572, 2024 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-38325631
3.
Therapeutics for COVID-19: from computation to practices-where we are, where we are heading to.
Mol Divers
; 25(1): 625-659, 2021 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-32880078
4.
Amalgamation of in-silico, in-vitro and in-vivo approach to establish glabridin as a potential CYP2E1 inhibitor.
Xenobiotica
; 51(6): 625-635, 2021 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-33539218
5.
Exploring QSAR modeling of toxicity of chemicals on earthworm.
Ecotoxicol Environ Saf
; 190: 110067, 2020 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-31855788
6.
Physicochemical, pharmacokinetic, efficacy and toxicity profiling of a potential nitrofuranyl methyl piperazine derivative IIIM-MCD-211 for oral tuberculosis therapy via in-silico-in-vitro-in-vivo approach.
Pulm Pharmacol Ther
; 48: 151-160, 2018 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-29174840
7.
Safer and greener chemicals for the aquatic ecosystem: Chemometric modeling of the prolonged and chronic aquatic toxicity of chemicals on Oryzias latipes.
Aquat Toxicol
; 273: 106985, 2024 Jun 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38875952
8.
Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation.
Int J Biol Macromol
; 269(Pt 1): 131784, 2024 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-38697440
9.
The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions.
Environ Sci Process Impacts
; 26(5): 870-881, 2024 May 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-38652036
10.
Chemometrics-driven prediction and prioritization of diverse pesticides on chickens for addressing hazardous effects on public health.
J Hazard Mater
; 471: 134326, 2024 Jun 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-38636230
11.
Some case studies on application of "r(m)2" metrics for judging quality of quantitative structure-activity relationship predictions: emphasis on scaling of response data.
J Comput Chem
; 34(12): 1071-82, 2013 May 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-23299630
12.
Computational modeling of aquatic toxicity of polychlorinated naphthalenes (PCNs) employing 2D-QSAR and chemical read-across.
Aquat Toxicol
; 257: 106429, 2023 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-36842883
13.
First report on ecotoxicological QSTR and i-QSTR modeling for the prediction of acute ecotoxicity of diverse organic chemicals against three protozoan species.
Chemosphere
; 335: 139066, 2023 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-37257655
14.
Assessment of superiority of HSP70-targeting aptamer-functionalized drug-nanocarrier over non-targeted commercially available counterpart in HCC therapy: in vitro and in vivo investigations and molecular modeling.
Life Sci
; 317: 121467, 2023 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36736764
15.
Rottlerin renders a selective and highly potent CYP2C8 inhibition to impede EET formation for implication in cancer therapy.
Chem Biol Interact
; 380: 110524, 2023 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-37146929
16.
Comparative studies on some metrics for external validation of QSPR models.
J Chem Inf Model
; 52(2): 396-408, 2012 Feb 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-22201416
17.
Effect of Myricetin on CYP2C8 Inhibition to Assess the Likelihood of Drug Interaction Using In Silico, In Vitro, and In Vivo Approaches.
ACS Omega
; 7(15): 13260-13269, 2022 Apr 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-35474783
18.
Assessment of the CYP1A2 Inhibition-Mediated Drug Interaction Potential for Pinocembrin Using In Silico, In Vitro, and In Vivo Approaches.
ACS Omega
; 7(23): 20321-20331, 2022 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-35721953
19.
Application of QSAR for the identification of key molecular fragments and reliable predictions of effects of textile dyes on growth rate and biomass values of Raphidocelis subcapitata.
Aquat Toxicol
; 238: 105925, 2021 Jul 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-34332198
20.
Recent advances in quantitative structure-activity relationship models of antimalarial drugs.
Expert Opin Drug Discov
; 16(6): 659-695, 2021 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33356651