Data-Driven Drug Discovery and Molecular Informatics

Publications

Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 201 - 220 of 584 publications
Author(s)
Publication title
Journal Name
Publication year
Correction to: Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: a comparison of 33 human and animal studies.
E Oerton, A Bender
BMC Neurol
(2019)
19
(doi: 10.1186/s12883-019-1240-7)
In silico prediction of chemical reproductive toxicity using machine learning.
C Jiang, H Yang, P Di, W Li, Y Tang, G Liu
Journal of applied toxicology : JAT
(2019)
39
(doi: 10.1002/jat.3772)
OP10 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
(doi: 10.1093/ecco-jcc/jjy222.009)
In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning
L Liu, H Yang, Y Cai, Q Cao, L Sun, Z Wang, W Li, G Liu, PW Lee, Y Tang
Toxicology Research
(2019)
8
(doi: 10.1039/c8tx00331a)
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
(doi: 10.1093/ecco-jcc/jjy222.135)
Traditional Chinese Medicine Herbal Drugs: From Heritage to Future Developments
T-P Fan, Y Zhu, C Leon, G Franz, A Bender, X Zheng
(2019)
32
(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
Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions
Y Cai, H Yang, W Li, G Liu, PW Lee, Y Tang
Journal of chemical information and modeling
(2018)
59
(doi: 10.1021/acs.jcim.8b00851)
Maximizing gain in high-throughput screening using conformal prediction.
F Svensson, AM Avid, U Norinder, A Bender
Journal of cheminformatics
(2018)
10
(doi: 10.1186/s13321-018-0260-4)
ADMET-score – a comprehensive scoring function for evaluation of chemical drug-likeness
L Guan, H Yang, Y Cai, L Sun, P Di, W Li, G Liu, Y Tang
MedChemComm
(2018)
10
(doi: 10.1039/C8MD00472B)
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
(doi: 10.1038/s41467-018-07239-1)
Discovery of a non-toxic [1,2,4]triazolo[1,5-a]pyrimidin-7-one (WS-10) that modulates ABCB1-mediated multidrug resistance (MDR)
L Chang, M Xiao, L Yang, S Wang, S-Q Wang, A Bender, A Hu, Z-S Chen, B Yu, H-M Liu
Bioorganic & Medicinal Chemistry
(2018)
26
(doi: 10.1016/j.bmc.2018.10.027)
Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods.
Y Chen, H Yang, Z Wu, G Liu, Y Tang, W Li
Chemical Research in Toxicology
(2018)
31
(doi: 10.1021/acs.chemrestox.8b00162)
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
Chemical research in toxicology
(2018)
31
(doi: 10.1021/acs.chemrestox.8b00159)
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
(doi: 10.1021/acs.jcim.8b00542)
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
(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
Frontiers in pharmacology
(2018)
9
(doi: 10.3389/fphar.2018.01096)
ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping.
H Yang, L Sun, Z Wang, W Li, G Liu, Y Tang
J Chem Inf Model
(2018)
58
(doi: 10.1021/acs.jcim.8b00532)
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins
KA Giblin, SJ Hughes, H Boyd, P Hansson, A Bender
Journal of chemical information and modeling
(2018)
58
(doi: 10.1021/acs.jcim.8b00400)
Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening
I Cortés-Ciriano, NC Firth, A Bender, O Watson
J Chem Inf Model
(2018)
58
(doi: 10.1021/acs.jcim.8b00376)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
Contacts
Directions

Privacy and cookie policy

About the Department

Departmental Services

Bender Group

Email: ab454@cam.ac.uk
T: 01223 762983

Study at Cambridge

About the University

Research at Cambridge