Detalhe da pesquisa
1.
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.
Brief Bioinform
; 19(2): 277-285, 2018 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27789427
2.
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.
J Chem Inf Model
; 56(9): 1622-30, 2016 09 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-27487177
3.
Novel synthetic coumarins that targets NF-κB in Hepatocellular carcinoma.
Bioorg Med Chem Lett
; 25(4): 893-7, 2015 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25592709
4.
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
J Chem Inf Model
; 54(1): 230-42, 2014 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24289493
5.
Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.
ACS Chem Biol
; 11(5): 1255-64, 2016 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-26878899
6.
Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway.
PLoS One
; 11(4): e0153155, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-27097161
7.
Novel Adamantanyl-Based Thiadiazolyl Pyrazoles Targeting EGFR in Triple-Negative Breast Cancer.
ACS Omega
; 1(6): 1412-1424, 2016 Dec 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-30023509
8.
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.
J Cheminform
; 7: 15, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-25926892
9.
A Nano-MgO and Ionic Liquid-Catalyzed 'Green' Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51).
PLoS One
; 10(10): e0139798, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26470029
10.
Novel benzoxazine-based aglycones block glucose uptake in vivo by inhibiting glycosidases.
PLoS One
; 9(7): e102759, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25047583
11.
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases.
J Cheminform
; 5(1): 49, 2013 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-24330772