Detalhe da pesquisa
1.
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.
Nucleic Acids Res
; 52(D1): D1180-D1192, 2024 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37933841
2.
EMBL's European Bioinformatics Institute (EMBL-EBI) in 2022.
Nucleic Acids Res
; 51(D1): D9-D17, 2023 01 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36477213
3.
Amino acids in transmembrane helix 1 confer major functional differences between human and mouse orthologs of the polyspecific membrane transporter OCT1.
J Biol Chem
; 298(6): 101974, 2022 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35469921
4.
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening.
J Chem Inf Model
; 62(24): 6323-6335, 2022 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-35274943
5.
Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction.
Chem Res Toxicol
; 34(2): 656-668, 2021 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33347274
6.
Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides.
J Chem Inf Model
; 61(6): 3109-3127, 2021 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34105971
7.
Differences in Metformin and Thiamine Uptake between Human and Mouse Organic Cation Transporter 1: Structural Determinants and Potential Consequences for Intrahepatic Concentrations.
Drug Metab Dispos
; 48(12): 1380-1392, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33037045
8.
Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides.
J Chem Inf Model
; 59(5): 1811-1825, 2019 05 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30372058
9.
Identification of anticancer OATP2B1 substrates by an in vitro triple-fluorescence-based cytotoxicity screen.
Arch Toxicol
; 93(4): 953-964, 2019 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30863990
10.
Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project.
Arch Toxicol
; 93(12): 3643-3667, 2019 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31781791
11.
Empowering pharmacoinformatics by linked life science data.
J Comput Aided Mol Des
; 31(3): 319-328, 2017 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27830428
12.
Adverse outcome pathways: opportunities, limitations and open questions.
Arch Toxicol
; 91(11): 3477-3505, 2017 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-29051992
13.
How Open Data Shapes In Silico Transporter Modeling.
Molecules
; 22(3)2017 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28272367
14.
Transporter assays and assay ontologies: useful tools for drug discovery.
Drug Discov Today Technol
; 12: e47-54, 2014 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-25027375
15.
School of cheminformatics in Latin America.
J Cheminform
; 15(1): 82, 2023 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37726809
16.
Artificial intelligence for natural product drug discovery.
Nat Rev Drug Discov
; 22(11): 895-916, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37697042
17.
Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action.
Toxicol In Vitro
; 79: 105269, 2022 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-34757180
18.
The N terminus of monoamine transporters is a lever required for the action of amphetamines.
J Biol Chem
; 285(14): 10924-38, 2010 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-20118234
19.
Molecular modelling studies of new potential human DNA polymerase α inhibitors.
J Enzyme Inhib Med Chem
; 26(2): 270-9, 2011 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-20958230
20.
New approach methods (NAMs) supporting read-across: Two neurotoxicity AOP-based IATA case studies
ALTEX
; 38(4): 615-635, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34114044