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- Currently displaying 381 - 400 of 559 publications
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)
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)
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)
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)
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window (vol 53, pg 1957, 2013)
J Chem Inf Model
(2014)
54
2180
(doi: 10.1021/ci500255v)
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
(2014)
15
549
(doi: 10.1002/cbic.201300697)
Cancer stem cells display extremely large evolvability: alternating plastic and rigid networks as a potential Mechanism Network models, novel therapeutic target strategies, and the contributions of hypoxia, inflammation and cellular senescence
Semin Cancer Biol
(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, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ
Rsc Advances
(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)
Synthesis and biological evaluation of tetrahydropyridinepyrazoles ('PFPs') as inhibitors of STAT3 phosphorylation
RSC Medicinal Chemistry
(2014)
5
32
(doi: 10.1039/c3md00119a)
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space
Journal of chemical information and modeling
(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
J Cheminform
(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
Design, Synthesis, and Biological Evaluation of an Allosteric Inhibitor of HSET that Targets Cancer Cells with Supernumerary Centrosomes
Chemistry & Biology
(2013)
20
1399
