Detalhe da pesquisa
1.
Discovering selective antiferroptotic inhibitors of the 15LOX/PEBP1 complex noninterfering with biosynthesis of lipid mediators.
Proc Natl Acad Sci U S A
; 120(25): e2218896120, 2023 Jun 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-37327313
2.
Deep learning identifies synergistic drug combinations for treating COVID-19.
Proc Natl Acad Sci U S A
; 118(39)2021 09 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34526388
3.
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
Proc Natl Acad Sci U S A
; 117(49): 31365-31375, 2020 12 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-33229545
4.
Artificial Immune Cell, AI-cell, a New Tool to Predict Interferon Production by Peripheral Blood Monocytes in Response to Nucleic Acid Nanoparticles.
Small
; 18(46): e2204941, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36216772
5.
Photostability and Antiproliferative Activity of Furan Analogues of Combretastatin A-4.
Chem Res Toxicol
; 35(11): 2014-2024, 2022 11 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36084334
6.
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
7.
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
8.
Photocyclization of Diarylethenes: The Effect of Electron and Proton Acceptors as Additives.
J Org Chem
; 86(15): 10023-10031, 2021 Aug 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34314191
9.
Photoinduced Skeletal Rearrangement of Diarylethenes: Photorelease of Lewis Acid and Synthetic Applications.
J Org Chem
; 86(23): 16806-16814, 2021 12 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34709041
10.
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
11.
Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era.
J Chem Inf Model
; 60(12): 6007-6019, 2020 12 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33259212
12.
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
13.
Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors.
J Chem Inf Model
; 59(2): 713-730, 2019 02 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-30688458
14.
Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models.
J Chem Inf Model
; 59(11): 4613-4624, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31584270
15.
Prebiotic Syntheses Under Shock in the Water - Formamide - Potassium Bicarbonate - Sodium Hydroxide System.
Orig Life Evol Biosph
; 49(1-2): 1-18, 2019 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-31004318
16.
Mechanistic Aspects of Photoinduced Rearrangement of 2,3-Diarylcyclopentenone Bearing Benzene and Oxazole Moieties.
J Phys Chem A
; 122(36): 7107-7117, 2018 Sep 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-30126277
17.
Programmable Nucleic Acid Based Polygons with Controlled Neuroimmunomodulatory Properties for Predictive QSAR Modeling.
Small
; 13(42)2017 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-28922553
18.
Photochemical Rearrangement of Diarylethenes: Reaction Efficiency and Substituent Effects.
J Org Chem
; 82(16): 8651-8661, 2017 08 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-28759242
19.
QSAR Modeling and Prediction of Drug-Drug Interactions.
Mol Pharm
; 13(2): 545-56, 2016 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26669717
20.
General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.
J Org Chem
; 80(22): 11491-500, 2015 Nov 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-26524463