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- Currently displaying 501 - 520 of 560 publications
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?
Curr Opin Drug Discov Devel
(2008)
11
327
Distributed chemical computing using ChemStar: An open source java remote method invocation architecture applied to large scale molecular data from PubChem
J Chem Inf Model
(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
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)
COMP 158-Automated combinatorial alignment for 3-D similarity searching
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(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
Prediction of small molecule targets based on protein domains: Extrapolation into unknown target space
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
"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
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)
