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- Currently displaying 381 - 400 of 559 publications
Palladium(II)-Catalyzed Desulfitative Synthesis of Aryl Ketones from Sodium Arylsulfinates and Nitriles: Scope, Limitations, and Mechanistic Studies
The Journal of organic chemistry
(2014)
79
12018
(doi: 10.1021/jo501875n)
Development of a novel azaspirane that targets the Janus kinase-signal transducer and activator of transcription (STAT) pathway in hepatocellular carcinoma in vitro and in vivo.
J Biol Chem
(2014)
289
34296
(doi: 10.1074/jbc.M114.601104)
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
Journal of Chemical Biology
(2014)
7
119
(doi: 10.1007/s12154-014-0112-2)
Synthesis and characterization of novel 2-amino-chromene-nitriles that target Bcl-2 in acute myeloid leukemia cell lines.
Plos One
(2014)
9
e107118
(doi: 10.1371/journal.pone.0107118)
Novel synthetic biscoumarins target tumor necrosis factor-α in hepatocellular carcinoma in vitro and in vivo
Journal of Biological Chemistry
(2014)
289
31879
(doi: 10.1074/jbc.m114.593855)
Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.
Molecular Biosystems
(2014)
11
86
(doi: 10.1039/c4mb00328d)
Toxicity prediction using heterogeneous chemical and biological data sources
Toxicology Letters
(2014)
229
S4
(doi: 10.1016/j.toxlet.2014.06.040)
Novel benzoxazine-based aglycones block glucose uptake in vivo by inhibiting glycosidases.
Plos One
(2014)
9
e102759
(doi: 10.1371/journal.pone.0102759)
Proteochemometric modeling in a Bayesian framework
Journal of Cheminformatics
(2014)
6
35
(doi: 10.1186/1758-2946-6-35)
A community effort to assess and improve drug sensitivity prediction algorithms
Nature biotechnology
(2014)
32
1202
(doi: 10.1038/nbt.2877)
Biofragments: An Approach towards Predicting Protein Function Using Biologically Related Fragments and its Application to Mycobacterium tuberculosis CYP126
Chembiochem : a European journal of chemical biology
(2014)
15
549
(doi: 10.1002/cbic.201300697)
Cancer stem cells display extremely large evolvability: alternating plastic and rigid networks as a potential Mechanism
Seminars in cancer biology
(2014)
30
42
Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis
MedChemComm
(2014)
5
386
(doi: 10.1039/c3md00313b)
Synthesis and biological evaluation of tetrahydropyridinepyrazoles ('PFPs') as inhibitors of STAT3 phosphorylation
RSC Medicinal Chemistry
(2014)
5
32
(doi: 10.1039/c3md00119a)
Synthesis, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ
RSC Adv.
(2014)
4
45143
(doi: 10.1039/c4ra08713e)
CanSAR: Updated cancer research and drug discovery knowledgebase
Nucleic Acids Research
(2014)
42
D1040
(doi: 10.1093/nar/gkt1182)
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space
J. Chem. Inf. Model.
(2013)
54
230
(doi: 10.1021/ci400469u)
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.
Journal of cheminformatics
(2013)
5
49
(doi: 10.1186/1758-2946-5-49)
Abstract B96: Design, synthesis and biological evaluation of a novel allosteric inhibitor of HSET that damages cancer cells with supernumerary centrosomes.
Molecular Cancer Therapeutics
(2013)
12
B96
