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- Currently displaying 441 - 460 of 561 publications
canSAR: An integrated cancer public translational research and drug discovery resource
– Nucleic Acids Research
(2012)
40,
(doi: 10.1093/nar/gkr881)
Exploring activity landscapes through molecular reference structures
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244,
Virtual screening data fusion using both structure- and ligand-based methods.
– J Chem Inf Model
(2011)
52,
225
(doi: 10.1021/ci2004835)
Understanding and classifying metabolite space and metabolite-likeness.
– PLoS One
(2011)
6,
e28966
(doi: 10.1371/journal.pone.0028966)
Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
– PloS one
(2011)
6,
e27518
(doi: 10.1371/journal.pone.0027518)
From in silico target prediction to multi-target drug design: Current databases, methods and applications
– Journal of Proteomics
(2011)
74,
2554
(doi: 10.1016/j.jprot.2011.05.011)
Preface
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
(doi: 10.1002/9781118131411)
Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery
(2011)
25
(doi: 10.1002/9781118131411.ch2)
Computational Approaches in Cheminformatics and Bioinformatics
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
(doi: 10.1002/9781118131411)
Substructure‐Based Virtual Screening for Adenosine A2A Receptor Ligands
– ChemMedChem
(2011)
6,
2302
(doi: 10.1002/cmdc.201100369)
canSAR: an integrated cancer public translational research and drug discovery resource
– Nucleic Acids Research
(2011)
40,
D947
(doi: 10.1093/nar/gkr881)
Libraries from Libraries: Comprehensive characterization of molecular diversity of bis-diazacyclic libraries
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2011)
242,
Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space
– Current topics in medicinal chemistry
(2011)
11,
1964
(doi: 10.2174/156802611796391230)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
– Journal of computer-aided molecular design
(2011)
25,
533
(doi: 10.1007/s10822-011-9440-2)
P-glycoprotein substrate models using support vector machines based on a comprehensive data set.
– Journal of chemical information and modeling
(2011)
51,
1447
(doi: 10.1021/ci2001583)
Ask the experts: focus on computational chemistry.
– Future Med Chem
(2011)
3,
909
(doi: 10.4155/fmc.11.57)
From in silico target prediction to multi-target drug design: current databases, methods and applications.
– J Proteomics
(2011)
74,
2554
(doi: 10.1016/j.jprot.2011.05.011)
Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries
– Chemical Biology and Drug Design
(2011)
77,
328
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
– Journal of Cheminformatics
(2011)
3,
p20
(doi: 10.1186/1758-2946-3-S1-P20)
Diversity-oriented synthesis of macrocyclic peptidomimetics
– Proceedings of the National Academy of Sciences
(2011)
108,
6793
(doi: 10.1073/pnas.1015267108)