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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using in Silico and in Vitro Methods
P Paudel, SH Seong, FM Fauzi, A Bender, HA Jung, JS Choi
– ACS omega
(2020)
5,
7705
(DOI: 10.1021/acsomega.0c00684)
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
A Liu, M Walter, P Wright, AM Bartosik, D Dolciami, A Elbasir, H Yang, A Bender
(2020)
(DOI: 10.21203/rs.3.rs-16599/v1)
Drug Combination Modeling
AHC Vlot, DJ Mason, KC Bulusu, A Bender
(2020)
1-3,
269
(DOI: 10.1016/B978-0-12-801238-3.11569-7)
THE APPLICATION OF ITERATIVE SCREENING TO HIT IDENTIFICATION
F Svensson, A Bender, U Norinder
(2020)
315
INTEGRATED NETWORK ANALYSIS USING PATIENT-SPECIFIC SINGLE NUCLEOTIDE POLYMORPHISM PROFILES UNCOVERS NEW PATHWAYS INVOLVED IN ULCERATIVE COLITIS PATHOGENESIS
D Modos, J Brooks, P Sudhakar, B Verstockt, B Alexander-Dann, A Zoufir, D Fazekas, S Carding, S Vermeire, A Bender, T Korcsmaros
– GASTROENTEROLOGY
(2020)
158,
S795
Chapter 5 Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2020)
63
(DOI: 10.1039/9781788016841-00063)
Integrated network analysis using patient-specific single-nucleotide polymorphism profiles uncovers new pathways involved in ulcerative colitis pathogenesis
D Modos, J Brooks, P Sudhakar, B Verstockt, B Alexander-Dann, A Zoufir, D Fazekas, S Vermeire, T Korcsmaros, A Bender
– JOURNAL OF CROHNS & COLITIS
(2020)
14,
S092
Structural Chemogenomics: Profiling Protein–Ligand Interactions in Polypharmacological Space
B Briels, C De Graaf, A Bender
(2020)
53
Understanding Conditional Associations between ToxCast <i>in Vitro</i> Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods.
SY Mahmoud, F Svensson, A Zoufir, D Módos, AM Afzal, A Bender
– Chemical Research in Toxicology
(2019)
33,
137
(DOI: 10.1021/acs.chemrestox.8b00382)
Applying synergy metrics to combination screening data: agreements, disagreements and pitfalls
AHC Vlot, N Aniceto, MP Menden, G Ulrich-Merzenich, A Bender
– Drug Discov Today
(2019)
24,
2286
(DOI: 10.1016/j.drudis.2019.09.002)
Triazole-Pyridine Dicarbonitrile Targets Phosphodiesterase 4 to Induce Cytotoxicity in Lung Carcinoma Cells.
HK Keerthy, S Mohan, Basappa, H Bharathkumar, S Rangappa, F Svensson, A Bender, CD Mohan, KS Rangappa, R Bhatnagar
– Chemistry &amp; Biodiversity
(2019)
16,
e1900234
(DOI: 10.1002/cbdv.201900234)
Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account.
G Drakakis, I Cortés-Ciriano, B Alexander-Dann, A Bender
– Current Protocols in Chemical Biology
(2019)
11,
e73
(DOI: 10.1002/cpch.73)
Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2019)
Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout
I Cortés-Ciriano, A Bender
– J Chem Inf Model
(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)

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