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- Currently displaying 501 - 520 of 562 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)
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 opinion on drug discovery
(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 ed. in English)
(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 fingerprint.
Comb Chem High Throughput Screen
(2007)
10
719
(doi: 10.2174/138620707782507313)
A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.
Journal of chemical information and modeling
(2007)
47
1776
(doi: 10.1021/ci700107y)
Side effect profile prediction: Computational tackling of big pharma's worst nightmare at an early stage
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 495-Tautomers, conformers, and computation of chemical similarity
ABSTR PAP AM CHEM S
(2007)
234
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
