Detalhe da pesquisa
1.
Comparison of logP and logD correction models trained with public and proprietary data sets.
J Comput Aided Mol Des
; 36(3): 253-262, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35359246
2.
Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg Med Chem Lett
; 26(15): 3518-24, 2016 08 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27346791
3.
RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature
; 464(7287): 431-5, 2010 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-20130576
4.
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.
J Comput Aided Mol Des
; 29(4): 327-38, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25708388
5.
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.
J Comput Aided Mol Des
; 29(6): 511-23, 2015 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-25921252
6.
Physicochemical and DMPK in silico models: facilitating their use by medicinal chemists.
Mol Pharm
; 10(4): 1153-61, 2013 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-23402361
7.
DEGAS: sharing and tracking target compound ideas with external collaborators.
J Chem Inf Model
; 52(2): 278-84, 2012 Feb 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-22080614
8.
Formation of a quinoneimine intermediate of 4-fluoro-N-methylaniline by FMO1: carbon oxidation plus defluorination.
Chem Res Toxicol
; 23(5): 861-3, 2010 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-20369854
9.
Why Decreasing Lipophilicity Alone Is Often Not a Reliable Strategy for Extending IV Half-life.
ACS Med Chem Lett
; 9(6): 522-527, 2018 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-29937976
10.
Using LC Retention Times in Organic Structure Determination: Drug Metabolite Identification.
Drug Metab Lett
; 12(2): 93-100, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30070179
11.
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.
J Cheminform
; 9(1): 38, 2017 Jun 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29086196
12.
Sustainable Practices in Medicinal Chemistry Part 2: Green by Design.
J Med Chem
; 60(14): 5955-5968, 2017 07 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-28375009
13.
Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J Med Chem
; 59(11): 5520-41, 2016 06 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-27167326
14.
Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J Med Chem
; 58(12): 5121-36, 2015 Jun 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26030457
15.
Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series.
ACS Med Chem Lett
; 6(6): 711-5, 2015 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-26101579
16.
Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
ACS Med Chem Lett
; 6(12): 1241-6, 2015 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26713112
17.
The evaluation of 25 chiral stationary phases and the utilization of sub-2.0µm coated polysaccharide chiral stationary phases via supercritical fluid chromatography.
J Chromatogr A
; 1305: 310-9, 2013 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-23891213
18.
Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2.
J Med Chem
; 56(11): 4764-85, 2013 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-23659214
19.
Potent and selective aminopyrimidine-based B-Raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J Med Chem
; 55(6): 2869-81, 2012 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-22335519
20.
Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett
; 2(5): 342-7, 2011 May 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-24900315