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- Currently displaying 401 - 420 of 574 publications
CanSAR: Updated cancer research and drug discovery knowledgebase
– Nucleic Acids Research
(2014)
42,
(doi: 10.1093/nar/gkt1182)
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: The importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases
– J Cheminform
(2013)
5,
49
(doi: 10.1186/1758-2946-5-49)
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space
– J Chem Inf Model
(2013)
54,
230
(doi: 10.1021/ci400469u)
canSAR: updated cancer research and drug discovery knowledgebase.
– Nucleic Acids Research
(2013)
42,
D1040
(doi: 10.1093/nar/gkt1182)
Design, synthesis and biological evaluation of a novel allosteric inhibitor of HSET that damages cancer cells with supernumerary centrosomes.
– Molecular Cancer Therapeutics
(2013)
12,
b96
Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes
– Chemistry & Biology
(2013)
20,
1399
International chemical identifier for reactions (RInChI).
– Journal of Cheminformatics
(2013)
5,
45
(doi: 10.1186/1758-2946-5-45)
Experimental Confirmation of New Drug-Target Interactions Predicted by Drug Profile Matching
– J Med Chem
(2013)
56,
8377
(doi: 10.1021/jm400813y)
Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts
– Mol Inform
(2013)
32,
1009
(doi: 10.1002/minf.201300102)
Temperature measurements with two different IR sensors in a continuous-flow microwave heated system
– Beilstein Journal of Organic Chemistry
(2013)
9,
2079
(doi: 10.3762/bjoc.9.244)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): Comparative study of 13 amino acid descriptor sets
– J Cheminform
(2013)
5,
42
(doi: 10.1186/1758-2946-5-41)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
– Journal of Cheminformatics
(2013)
5,
41
(doi: 10.1186/1758-2946-5-41)
Decarboxylative Palladium(II)‐Catalyzed Synthesis of Aryl Amidines from Aryl Carboxylic Acids: Development and Mechanistic Investigation
– Chemistry (Weinheim an der Bergstrasse, Germany)
(2013)
19,
13803
(doi: 10.1002/chem.201301809)
Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space
– Chemical Biology & Drug Design
(2013)
82,
252
(doi: 10.1111/cbdd.12155)
Reconstruction and comparison of cellular signaling pathway resources for the systems-level analysis of cross-talks
(2013)
1,
463
(doi: 10.1007/978-94-007-6803-1_16)
In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window.
– J Chem Inf Model
(2013)
53,
1957
(doi: 10.1021/ci300435j)
Computer-aided (in silico) approaches in the mode-of-action analysis and safety assessment of Ostarine and 4-methylamphetamine
– Human Psychopharmacology: Clinical and Experimental
(2013)
28,
365
(doi: 10.1002/hup.2322)
Adaptation and learning of molecular networks as a description of cancer development at the systems-level: potential use in anti-cancer therapies.
– Seminars in Cancer Biology
(2013)
23,
262
NRF2-ome: An Integrated Web Resource to Discover Protein Interaction and Regulatory Networks of NRF2
– Oxidative medicine and cellular longevity
(2013)
2013,
1
(doi: 10.1155/2013/737591)
In silico target prediction: identification of on- and off-targets for crop protection agents
– Journal of Cheminformatics
(2013)
5,
p18
(doi: 10.1186/1758-2946-5-s1-p18)