Detalhe da pesquisa
1.
ExEmPLAR (Extracting, Exploring, and Embedding Pathways Leading to Actionable Research): a user-friendly interface for knowledge graph mining.
Bioinformatics
; 40(1)2024 01 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38175789
2.
Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products.
J Am Chem Soc
; 146(12): 8016-8030, 2024 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38470819
3.
Synergistic and Antagonistic Drug Combinations against SARS-CoV-2.
Mol Ther
; 29(2): 873-885, 2021 02 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33333292
4.
Integrated approach to elucidate metal-implant related adverse outcome pathways.
Regul Toxicol Pharmacol
; 136: 105277, 2022 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-36288772
5.
A critical overview of computational approaches employed for COVID-19 drug discovery.
Chem Soc Rev
; 50(16): 9121-9151, 2021 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34212944
6.
Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers.
Chem Res Toxicol
; 34(2): 258-267, 2021 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32673477
7.
Deep Learning-driven research for drug discovery: Tackling Malaria.
PLoS Comput Biol
; 16(2): e1007025, 2020 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32069285
8.
ZINC Express: A Virtual Assistant for Purchasing Compounds Annotated in the ZINC Database.
J Chem Inf Model
; 61(3): 1033-1036, 2021 03 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33667090
9.
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.
J Chem Inf Model
; 61(2): 653-663, 2021 02 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33533614
10.
The SistematX Web Portal of Natural Products: An Update.
J Chem Inf Model
; 61(6): 2516-2522, 2021 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34014674
11.
QSAR without borders.
Chem Soc Rev
; 49(11): 3525-3564, 2020 06 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32356548
12.
Correction: QSAR without borders.
Chem Soc Rev
; 49(11): 3716, 2020 06 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32441715
13.
Curated Data In - Trustworthy In Silico Models Out: The Impact of Data Quality on the Reliability of Artificial Intelligence Models as Alternatives to Animal Testing.
Altern Lab Anim
; 49(3): 73-82, 2021 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-34233495
14.
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
J Chem Inf Model
; 60(8): 4056-4063, 2020 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32678597
15.
Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents.
PLoS Comput Biol
; 14(10): e1006515, 2018 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30346968
16.
Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships.
J Chem Inf Model
; 58(11): 2203-2213, 2018 11 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30376324
17.
Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models.
J Chem Inf Model
; 58(6): 1214-1223, 2018 06 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29809005
18.
Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed.
J Chem Inf Model
; 58(2): 212-218, 2018 02 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-29300482
19.
Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS.
J Chem Inf Model
; 57(3): 417-427, 2017 03 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28165734
20.
Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.
J Chem Inf Model
; 57(5): 1013-1017, 2017 05 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28459556