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- Currently displaying 421 - 440 of 561 publications
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)
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)
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)
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 Systems Biology
(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)
Linking Ayurveda and Western medicine by integrative analysis.
J Ayurveda Integr Med
(2013)
4
117
(doi: 10.4103/0975-9476.113882)
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)
Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein
Lecture Notes in Computer Science
(2012)
7610
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)
Utilizing traditional Chinese for the discovery of efficacious new drugs
Journal of Translational Medicine
(2012)
10
a34
(doi: 10.1186/1479-5876-10-s2-a34)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds
Organic & biomolecular chemistry
(2012)
10
7545
(doi: 10.1039/c2ob26272j)
Exploring activity landscapes through molecular reference structures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data
J Med Chem
(2012)
55
7010
(doi: 10.1021/jm3003069)
Consensus QSAR model for identifying novel H5N1 inhibitors.
Molecular Diversity
(2012)
16
513
(doi: 10.1007/s11030-012-9384-z)
Multi-objective evolutionary design of adenosine receptor ligands.
Journal of chemical information and modeling
(2012)
52
1713
(doi: 10.1021/ci2005115)
The NRF2-related interactome and regulome contain multifunctional proteins and fine-tuned autoregulatory loops.
FEBS Lett
(2012)
586
1795