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Publications by Dr Andreas Bender

How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space
A Koutsoukas, S Paricharak, WRJD Galloway, DR Spring, AP Ijzerman, RC Glen, D Marcus, A Bender
– J Chem Inf Model
(2014)
54,
230
(DOI: 10.1021/ci400469u)
Extensions to in silico bioactivity predictions using pathway annotations and differential pharmacology analysis: Application to xenopus laevis phenotypic readouts
S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, MJ Bodkin, DA Evans, A Bender
– Mol Inform
(2013)
32,
1009
(DOI: 10.1002/minf.201300102)
Design, synthesis and biological evaluation of a novel allosteric inhibitor of HSET that damages cancer cells with supernumerary centrosomes.
CA Watts, FM Richards, A Bender, PJ Bond, O Korb, O Kern, M Riddick, P Owen, RM Myers, J Raff, F Gergely, DI Jodrell, SV Ley
– Molecular Cancer Therapeutics
(2013)
12,
B96
(DOI: 10.1158/1535-7163.TARG-13-B96)
Design, Synthesis, and Biological Evaluation of an Allosteric Inhibitor of HSET that Targets Cancer Cells with Supernumerary Centrosomes
CA Watts, FM Richards, A Bender, PJ Bond, O Korb, O Kern, M Riddick, P Owen, RM Myers, J Raff, F Gergely, DI Jodrell, SV Ley
– Chemistry & Biology
(2013)
20,
1399
(DOI: 10.1016/j.chembiol.2013.09.012)
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window
A Koutsoukas, R Lowe, Y Kalantarmotamedi, HY Mussa, W Klaffke, JBO Mitchell, RC Glen, A Bender
– 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
F Mohd Fauzi, A Koutsoukas, A Cunningham, A Gallegos, R Sedefov, A Bender
– Hum Psychopharmacol
(2013)
28,
365
(DOI: 10.1002/hup.2322)
Diversity Selection of Compounds Based on ‘Protein Affinity Fingerprints’ Improves Sampling of Bioactive Chemical Space
HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, RC Glen, A Bender
– Chem Biol Drug Des
(2013)
82,
252
(DOI: 10.1111/cbdd.12155)
Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data.
GJP van Westen, A Hendriks, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
– PLoS computational biology
(2013)
9,
e1002899
(DOI: 10.1371/journal.pcbi.1002899)
Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines.
F Mohd Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
– J Chem Inf Model
(2013)
53,
661
(DOI: 10.1021/ci3005513)
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels
RJPV Berlo, W Winterbach, MJLD Groot, A Bender, PJT Verheijen, MJT Reinders, DD Ridder
– Int J Bioinform Res Appl
(2013)
9,
407
(DOI: 10.1504/IJBRA.2013.054688)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): Comparative study of 13 amino acid descriptor sets
GJ van Westen, RF Swier, I Cortes-Ciriano, JK Wegner, JP Overington, AP Ijzerman, HW van Vlijmen, A Bender
– Journal of Cheminformatics
(2013)
5,
42
(DOI: 10.1186/1758-2946-5-42)
Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes
CA Watts, FM Richards, A Bender, PJ Bond, O Korb, O Kern, M Riddick, P Owen, RM Myers, J Raff, F Gergely, DI Jodrell, SV Ley
– Chemistry and Biology
(2013)
20,
1399
(DOI: 10.1016/j.chembiol.2013.09.012)
Linking Ayurveda and Western medicine by integrative analysis.
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
– Journal of Ayurveda and integrative medicine
(2013)
4,
117
(DOI: 10.4103/0975-9476.113882)
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): Modeling performance of 13 amino acid descriptor sets
GJ van Westen, RF Swier, JK Wegner, AP Ijzerman, HW van Vlijmen, A Bender
– Journal of Cheminformatics
(2013)
5,
41
(DOI: 10.1186/1758-2946-5-41)
Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.
L Végner, Á Peragovics, L Tombor, B Jelinek, P Czobor, A Bender, Z Simon, A Málnási-Csizmadia
– J Med Chem
(2013)
56,
8377
(DOI: 10.1021/jm400813y)
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender
– MedChemComm
(2013)
4,
278
(DOI: 10.1039/c2md20286g)
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
S Paricharak, T Klenka, M Augustin, UA Patel, A Bender
– Journal of Cheminformatics
(2013)
5,
49
(DOI: 10.1186/1758-2946-5-49)
Exploring activity landscapes through molecular reference structures
D Marcus, HY Mussa, A Bender, RC Glen
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244,
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds.
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
– Org Biomol Chem
(2012)
10,
7545
(DOI: 10.1039/c2ob26272j)
Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
– J Med Chem
(2012)
55,
7010
(DOI: 10.1021/jm3003069)

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