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- Currently displaying 521 - 540 of 584 publications
Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs
Journal of chemical information and modeling
(2009)
49
477
(doi: 10.1021/ci800379q)
Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis
J Chem Inf Model
(2009)
49
308
(doi: 10.1021/ci800344p)
How similar are similarity searching methods? A principal component analysis of molecular descriptor space
Journal of Chemical Information and Modeling
(2009)
49
108
(doi: 10.1021/ci800249s)
Computational methods to support high-content screening: from compound selection and data analysis to postulating target hypotheses.
Expert Opin Drug Discov
(2008)
4
5
(doi: 10.1517/17460440802586434)
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
J Chem Inf Model
(2008)
48
2313
(doi: 10.1021/ci800079x)
Ultra Wideband AGC and VGA designs for Software Radio Applications
TENCON 2008 - 2008 IEEE Region 10 Conference
(2008)
1
(doi: 10.1109/tencon.2008.4766770)
COMP 86-"Virtual Fragment Linking": An approach to identify potent binders from low affinity fragment hits
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
236
Which aspects of HTS are empirically correlated with downstream success?
Current Opinion in Drug Discovery & Development
(2008)
11
327
Distributed chemical computing using ChemStar: An open source java remote method invocation architecture applied to large scale molecular data from PubChem
Journal of Chemical Information and Modeling
(2008)
48
691
(doi: 10.1021/ci700334f)
“Virtual Fragment Linking”: An Approach To Identify Potent Binders from Low Affinity Fragment Hits
J Med Chem
(2008)
51
2481
(doi: 10.1021/jm701314u)
Anti-MRSA agent discovery using diversity-oriented synthesis.
Angewandte Chemie International Edition
(2008)
47
2808
(doi: 10.1002/anie.200705415)
Diversity-oriented synthesis; a spectrum of approaches and results
Organic & Biomolecular Chemistry
(2008)
6
1149
(doi: 10.1039/b719372f)
A Scenario Implementation in R for SubtypeDiscovery Examplified on Chemoinformatics Data
Communications in Computer and Information Science
(2008)
17 CCIS
669
(doi: 10.1007/978-3-540-88479-8_48)
Integrating high-content screening and ligand-target prediction to identify mechanism of action
Nat Chem Biol
(2007)
4
59
(doi: 10.1038/nchembio.2007.53)
Chemogenomic data analysis: Prediction of small-molecule targets and the advent of biological fingerprints
Combinatorial Chemistry & High Throughput Screening
(2007)
10
719
(doi: 10.2174/138620707782507313)
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification
J Chem Inf Model
(2007)
47
1776
(doi: 10.1021/ci700107y)
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
ABSTR PAP AM CHEM S
(2007)
234
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
ABSTR PAP AM CHEM S
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
ABSTR PAP AM CHEM S
(2007)
234
