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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout
I Cortés-Ciriano, A Bender
– Journal of chemical information and modeling
(2019)
59,
3330
(DOI: 10.1021/acs.jcim.9b00297)
Kekulescope: Prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images
I Cortés-Ciriano, A Bender
– Journal of cheminformatics
(2019)
11,
41
(DOI: 10.1186/s13321-019-0364-5)
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images
I Cortés-Ciriano, A Bender
– Journal of cheminformatics
(2019)
11,
41
(DOI: 10.1186/s13321-019-0364-5)
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen.
MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, J Kang, M Jeon, R Wolfinger, T Nguyen, M Zaslavskiy, AstraZeneca-Sanger Drug Combination DREAM Consortium, IS Jang, Z Ghazoui, ME Ahsen, R Vogel, EC Neto, T Norman, EKY Tang, MJ Garnett, GYD Veroli, S Fawell, G Stolovitzky, J Guinney, JR Dry, J Saez-Rodriguez
– Nature communications
(2019)
10,
2674
(DOI: 10.1038/s41467-019-09799-2)
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity.
CHG Allen, LH Mervin, SY Mahmoud, A Bender
– Journal of cheminformatics
(2019)
11,
36
(DOI: 10.1186/s13321-019-0356-5)
Characterizing ABC-transporter substrate-likeness using a clean-slate genetic background
A Sokolov, S Ashenden, N Sahin, R Lewis, N Erdem, E Ozaltan, A Bender, FP Roth, M Cokol
– Frontiers in Pharmacology
(2019)
10,
448
(DOI: 10.3389/fphar.2019.00448)
Sulfated Ceria Catalyzed Synthesis of Imidazopyridines and Their Implementation as DNA Minor Groove Binders
S Mohan, S Rangappa, NC Anilkumar, JE Fuchs, A Bender, Basappa, KS Rangappa, R Bhatnagar
– Chemistry & Biodiversity
(2019)
16,
e1800435
(DOI: 10.1002/cbdv.201800435)
Synthesis of CC, CN coupled novel substituted dibutyl benzothiazepinone derivatives and evaluation of their thrombin inhibitory activity.
CP Baburajeev, CD Mohan, V Pandey, S Rangappa, N Shivalingegowda, L Kalash, S Devaraja, A Bender, PE Lobie, KS Rangappa, Basappa
– Bioorg Chem
(2019)
87,
142
(DOI: 10.1016/j.bioorg.2019.03.004)
Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database.
A Mazzolari, AM Afzal, A Pedretti, B Testa, G Vistoli, A Bender
– ACS medicinal chemistry letters
(2019)
10,
633
(DOI: 10.1021/acsmedchemlett.8b00603)
Correction to: Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: A comparison of 33 human and animal studies (BMC Neurology (2017) 17 (58) DOI: 10.1186/s12883-017-0838-x)
E Oerton, A Bender
– BMC neurology
(2019)
19,
16
(DOI: 10.1186/s12883-019-1240-7)
Systems genomics of ulcerative colitis: combining GWAS and signalling networks for patient stratification and individualised drug targeting in ulcerative colitis
J Brooks, D Modos, P Sudhakar, D Fazekas, A Zoufir, A Watson, M Tremelling, B Verstockt, S Vermeire, A Bender, S Carding, T Korcsmaros
– Journal of Crohn's and Colitis
(2019)
13,
S6
(DOI: 10.1093/ecco-jcc/jjy222.009)
P011 Signalling and transcriptional network propagation uncovers novel ulcerative colitis pathogenetic pathways from single-nucleotide polymorphisms
D Modos, J Brooks, P Sudhakar, B Verstockt, B Alexander-Dann, A Zoufir, D Fazekas, S Vermeire, T Korcsmaros, A Bender
– Journal of Crohn's and Colitis
(2019)
13,
s091
(DOI: 10.1093/ecco-jcc/jjy222.135)
Traditional Chinese Medicine Herbal Drugs: From Heritage to Future Developments
TP Fan, Y Zhu, C Leon, G Franz, A Bender, X Zheng
(2019)
32,
59
(DOI: 10.1007/978-3-030-11751-1_4)
SYSTEMS GENOMICS OF ULCERATIVE COLITIS: COMBINING GWAS, SIGNALLING AND TRANSCRIPTIONAL NETWORKS TO UNCOVER NOVEL PATHOGENIC PATHWAYS
J Brooks, D Modos, P Sudhakar, B Verstockt, B Alexander-Dann, A Zoufir, D Fazekas, M Tremelling, A Watson, S Carding, S Vermeire, A Bender, T Korcsmaros
– GASTROENTEROLOGY
(2019)
156,
S605
Maximizing gain in high-throughput screening using conformal prediction.
F Svensson, AM Avid, U Norinder, A Bender
– Journal of cheminformatics
(2018)
10,
7
(DOI: 10.1186/s13321-018-0260-4)
Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs
HR Noori, LH Mervin, V Bokharaie, Ö Durmus, L Egenrieder, S Fritze, B Gruhlke, G Reinhardt, H-H Schabel, S Staudenmaier, NK Logothetis, A Bender, R Spanagel
– Nat Commun
(2018)
9,
4699
(DOI: 10.1038/s41467-018-07239-1)
Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks
I Cortés-Ciriano, A Bender
– Journal of Chemical Information and Modeling
(2018)
59,
1269
(DOI: 10.1021/acs.jcim.8b00542)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
F Svensson, A Zoufir, S Mahmoud, AM Afzal, I Smit, KA Giblin, PJ Clements, JT Mettetal, A Pointon, JS Harvey, N Greene, RV Williams, A Bender
– Chem Res Toxicol
(2018)
31,
1119
(DOI: 10.1021/acs.chemrestox.8b00159)
Discovery of a small-molecule inhibitor of specific serine residue BAD phosphorylation.
V Pandey, B Wang, CD Mohan, AR Raquib, S Rangappa, V Srinivasa, JE Fuchs, KS Girish, T Zhu, A Bender, L Ma, Z Yin, Basappa, KS Rangappa, PE Lobie
– Proceedings of the National Academy of Sciences of the United States of America
(2018)
115,
e10505
(DOI: 10.1073/pnas.1804897115)
Using Machine Learning to Predict Synergistic Antimalarial Compound Combinations With Novel Structures
DJ Mason, RT Eastman, RPI Lewis, IP Stott, R Guha, A Bender
– Front Pharmacol
(2018)
9,
1096
(DOI: 10.3389/fphar.2018.01096)

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