Detalhe da pesquisa
1.
Bayer's in silico ADMET platform: a journey of machine learning over the past two decades.
Drug Discov Today;
25(9): 1702-1709, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32652309
2.
Discovery of Rogaratinib (BAY 1163877): a pan-FGFR Inhibitor.
ChemMedChem;
13(5): 437-445, 2018 03 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29451369
3.
Novel TIE-2 inhibitor BAY-826 displays in vivo efficacy in experimental syngeneic murine glioma models.
J Neurochem;
140(1): 170-182, 2017 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27787897
4.
Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.
J Chem Inf Model;
55(2): 389-97, 2015 Feb 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-25514239
5.
CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory.
ChemMedChem;
4(4): 657-69, 2009 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-19243088
6.
Design and synthesis of potent and selective azaindole-based Rho kinase (ROCK) inhibitors.
ChemMedChem;
3(12): 1893-904, 2008 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-18973168
7.
In silico ADMET traffic lights as a tool for the prioritization of HTS hits.
ChemMedChem;
1(11): 1229-36, 2006 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-16991174
8.
Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits.
Drug Discov Today;
11(3-4): 175-80, 2006 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-16533716
9.
Molecular characterization of the principal substrate binding site of the ubiquitous folding catalyst protein disulfide isomerase.
J Biol Chem;
279(11): 10374-81, 2004 Mar 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-14684740
10.
Recent advances in the prediction of blood-brain partitioning from molecular structure.
J Pharm Sci;
92(2): 360-70, 2003 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-12532385
11.
In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values.
Mol Divers;
7(1): 69-87, 2003.
Artigo
em Inglês
| MEDLINE | ID: mdl-14768905