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- Currently displaying 501 - 520 of 561 publications
How similar are similarity searching methods? A principal component analysis of molecular descriptor space
J Chem Inf Model
(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.
Journal of chemical information and modeling
(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.
Journal of medicinal chemistry
(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
Org Biomol Chem
(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
Nature Chemical Biology
(2007)
4
59
(doi: 10.1038/nchembio.2007.53)
Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint.
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.
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 495-Tautomers, conformers, and computation of chemical similarity
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
"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
