Detalhe da pesquisa
1.
Assessing the impact of expert knowledge on ICH M7 (Q)SAR predictions. Is expert review still needed?
Regul Toxicol Pharmacol
; 125: 105006, 2021 Oct.
Artigo
Inglês
| MEDLINE | ID: mdl-34273441
2.
Transitioning to composite bacterial mutagenicity models in ICH M7 (Q)SAR analyses.
Regul Toxicol Pharmacol
; 109: 104488, 2019 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-31586682
3.
CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data.
Bioinformatics
; 33(3): 464-466, 2017 02 01.
Artigo
Inglês
| MEDLINE | ID: mdl-28172359
4.
In silico toxicology protocols.
Regul Toxicol Pharmacol
; 96: 1-17, 2018 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-29678766
5.
Developing Enhanced Blood-Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR Modeling.
Pharm Res
; 32(9): 3055-65, 2015 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-25862462
6.
Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants.
Chem Res Toxicol
; 27(10): 1643-51, 2014 Oct 20.
Artigo
Inglês
| MEDLINE | ID: mdl-25195622
7.
Critical evaluation of human oral bioavailability for pharmaceutical drugs by using various cheminformatics approaches.
Pharm Res
; 31(4): 1002-14, 2014 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-24306326
8.
Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers.
J Comput Aided Mol Des
; 28(6): 631-46, 2014 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-24840854
9.
Development of QSAR models to predict blood-brain barrier permeability.
Front Pharmacol
; 13: 1040838, 2022.
Artigo
Inglês
| MEDLINE | ID: mdl-36339562
10.
In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.
Comput Toxicol
; 202021 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-35340402
11.
Evaluating kratom alkaloids using PHASE.
PLoS One
; 15(3): e0229646, 2020.
Artigo
Inglês
| MEDLINE | ID: mdl-32126112
12.
Assessing the Structural and Pharmacological Similarity of Newly Identified Drugs of Abuse to Controlled Substances Using Public Health Assessment via Structural Evaluation.
Clin Pharmacol Ther
; 106(1): 116-122, 2019 07.
Artigo
Inglês
| MEDLINE | ID: mdl-30957872
13.
Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking.
PLoS One
; 13(5): e0197734, 2018.
Artigo
Inglês
| MEDLINE | ID: mdl-29795628
14.
Curating and Preparing High-Throughput Screening Data for Quantitative Structure-Activity Relationship Modeling.
Methods Mol Biol
; 1473: 161-72, 2016.
Artigo
Inglês
| MEDLINE | ID: mdl-27518634
15.
Predictive Modeling of Estrogen Receptor Binding Agents Using Advanced Cheminformatics Tools and Massive Public Data.
Front Environ Sci
; 42016 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-27642585