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- Currently displaying 501 - 520 of 559 publications
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
Angew Chem Int Ed Engl
(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
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 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
COMP 495-Tautomers, conformers, and computation of chemical similarity
ABSTR PAP AM CHEM S
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
ABSTR PAP AM CHEM S
(2007)
234
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
Understanding false positives in reporter gene assays: In silico chemogenomics approaches to prioritize cell-based HTS data
Journal of chemical information and modeling
(2007)
47
1319
(doi: 10.1021/ci6005504)
Modeling promiscuity based on in vitro safety pharmacology profiling data.
Chemmedchem
(2007)
2
874
(doi: 10.1002/cmdc.200700036)
Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure
Chemmedchem
(2007)
2
861
(doi: 10.1002/cmdc.200700026)
