How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.
– ChemMedChem
(2016)
11,
57
(DOI: 10.1002/cmdc.201500424)
Corrigendum to “Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors” [Eur. J. Med. Chem. 101 (2015) 573–583]
– European Journal of Medicinal Chemistry
(2015)
103,
223
(DOI: 10.1016/j.ejmech.2015.08.050)
Development of Novel Triazolo-Thiadiazoles from Heterogeneous “Green” Catalysis as Protein Tyrosine Phosphatase 1B Inhibitors
– Scientific reports
(2015)
5,
14195
(DOI: 10.1038/srep14195)
Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials
– Org Biomol Chem
(2015)
13,
10681
(DOI: 10.1039/C5OB01479D)
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
– Bioinformatics (Oxford, England)
(2016)
32,
btv529
Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives.
– Drug Discov Today
(2016)
21,
225
(DOI: 10.1016/j.drudis.2015.09.003)
Synthesis of 1,2-benzisoxazole tethered 1,2,3-triazoles that exhibit anticancer activity in acute myeloid leukemia cell lines by inhibiting histone deacetylases, and inducing p21 and tubulin acetylation
– Bioorganic & medicinal chemistry
(2015)
23,
6157
(DOI: 10.1016/j.bmc.2015.07.069)
Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors
– Eur J Med Chem
(2015)
103,
573
(DOI: 10.1016/j.ejmech.2015.07.011)
Screening of quinoline, 1,3-benzoxazine, and 1,3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in silico binding mode analysis.
– Org Biomol Chem
(2015)
13,
9381
(DOI: 10.1039/c5ob00791g)
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
– J Chem Inf Model
(2015)
55,
1413
(DOI: 10.1021/acs.jcim.5b00101)
Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction
– Molecular Informatics
(2015)
34,
357
(DOI: 10.1002/minf.201400165)
Using transcriptomics to guide lead optimization in drug discovery projects: Lessons learned from the QSTAR project
– Drug Discovery Today
(2015)
20,
505
(DOI: 10.1016/j.drudis.2014.12.014)
Comparing global and local likelihood score thresholds in multiclass laplacian-modified Naive Bayes protein target prediction.
– Comb Chem High Throughput Screen
(2015)
18,
323
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling
– BMC Bioinformatics
(2015)
16,
A4
(DOI: 10.1186/1471-2105-16-S3-A4)
Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2
– Bioorganic and Medicinal Chemistry Letters
(2015)
25,
2931
(DOI: 10.1016/j.bmcl.2015.05.047)
Synthesis and characterization of novel oxazines and demonstration that they specifically target cyclooxygenase 2.
– Bioorg Med Chem Lett
(2015)
25,
2931
(DOI: 10.1016/j.bmcl.2015.05.047)
Microwave-assisted synthesis, characterization and cytotoxic studies of novel estrogen receptor α ligands towards human breast cancer cells
– Bioorg Med Chem Lett
(2015)
25,
1804
(DOI: 10.1016/j.bmcl.2015.01.030)
Analyzing Multitarget Activity Landscapes Using Protein–Ligand Interaction Fingerprints: Interaction Cliffs
– J Chem Inf Model
(2015)
55,
251
(DOI: 10.1021/ci500721x)
Using transcriptomics to guide lead optimization in drug discovery projects: Lessons learned from the QSTAR project
– Drug Discov Today
(2015)
20,
505
(DOI: 10.1016/j.drudis.2014.12.014)
MOLPRINT 2D-based identification and synthesis of novel chromene based small molecules that target PLA2: Validation through chemo- and bioinformatics approaches
– RSC Advances
(2015)
5,
89797
(DOI: 10.1039/c5ra13085a)