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- Currently displaying 401 - 420 of 558 publications
Computer-aided (in silico) approaches in the mode-of-action analysis and safety assessment of ostarine and 4-methylamphetamine.
– Human psychopharmacology
(2013)
28,
365
(doi: 10.1002/hup.2322)
Adaptation and learning of molecular networks as a description of cancer development at the systems-level: potential use in anti-cancer therapies.
– Semin Cancer Biol
(2013)
23,
262
NRF2-ome: An Integrated Web Resource to Discover Protein Interaction and Regulatory Networks of NRF2
– Oxidative Medicine and Cellular Longevity
(2013)
2013,
737591
(doi: 10.1155/2013/737591)
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
– Journal of Cheminformatics
(2013)
5,
P34
(doi: 10.1186/1758-2946-5-s1-p34)
Relating GPCRs pharmacological space based on ligands chemical similarities
– Journal of cheminformatics
(2013)
5,
P26
(doi: 10.1186/1758-2946-5-s1-p26)
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines
– Journal of Cheminformatics
(2013)
5,
p44
(doi: 10.1186/1758-2946-5-s1-p44)
In silico target prediction: identification of on- and off-targets for crop protection agents
– Journal of Cheminformatics
(2013)
5,
p18
(doi: 10.1186/1758-2946-5-s1-p18)
Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization
– Journal of Cheminformatics
(2013)
5,
p24
(doi: 10.1186/1758-2946-5-s1-p24)
Annotating targets with pathways: extending approaches to mode of action analysis
– Journal of cheminformatics
(2013)
5,
p15
(doi: 10.1186/1758-2946-5-s1-p15)
Experimental validation of in silico target predictions on synergistic protein targets
– Journal of Cheminformatics
(2013)
5,
P31
(doi: 10.1186/1758-2946-5-s1-p31)
Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data
– PLoS Computational Biology
(2013)
9,
e1002899
(doi: 10.1371/journal.pcbi.1002899)
Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines.
– Journal of Chemical Information and Modeling
(2013)
53,
661
(doi: 10.1021/ci3005513)
SignaLink 2 - a signaling pathway resource with multi-layered regulatory networks.
– BMC Syst Biol
(2013)
7,
7
(doi: 10.1186/1752-0509-7-7)
Theoretical and Experimental Investigation of Palladium(II)-Catalyzed Decarboxylative Addition of Arenecarboxylic Acid to Nitrile
– Organometallics
(2013)
32,
490
(doi: 10.1021/om3009525)
Experimental validation of in silico target predictions on synergistic protein targets
– MedChemComm
(2013)
4,
278
(doi: 10.1039/c2md20286g)
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels
– International Journal of Bioinformatics Research and Applications
(2013)
9,
407
(doi: 10.1504/IJBRA.2013.054688)
Linking Ayurveda and Western medicine by integrative analysis.
– J Ayurveda Integr Med
(2013)
4,
117
(doi: 10.4103/0975-9476.113882)
Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2012)
7610 LNCS,
12
(doi: 10.1007/978-3-642-34032-1_3)
PaDEL‐DDPredictor: Open‐source software for PD‐PK‐T prediction
– Journal of Computational Chemistry
(2012)
34,
604
(doi: 10.1002/jcc.23173)