Data-Driven Drug Discovery and Molecular Informatics

Georgios Drakakis

Research Associate

Publications

Polypharmacological in Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat.
G Drakakis, KA Wafford, SC Brewerton, MJ Bodkin, DA Evans, A Bender
ACS Chemical Biology
(2017)
12
(doi: 10.1021/acschembio.7b00209)
Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics
C Chomenidis, G Drakakis, G Tsiliki, E Anagnostopoulou, A Valsamis, P Doganis, P Sopasakis, H Sarlinveis
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2017)
57
(doi: 10.1021/acs.jcim.7b00223)
eNanoMapper - A database and ontology framework for design and safety assessment of nanomaterials
G Kilic, B Fadeel, L Farcal, H Sarimveis, P Doganis, G Drakakis, G Tsiliki, C Chomenidis, C Helma, M Rautenberg, D Gebele, N Jeliazkova, N Kochev, G Owen, J Chang, EL Willighagen, F Ehrhart, L Rieswijk, V Hongisto, P Nymark, P Kohonen, R Grafstrom, B Hardy
TOXICOLOGY LETTERS
(2016)
258
eNanoMapper – A database and ontology framework for design and safety assessment of nanomaterials
G Kilic, B Fadeel, L Farcal, H Sarimveis, P Doganis, G Drakakis, G Tsiliki, C Chomenidis, C Helma, M Rautenberg, D Gebele, N Jeliazkova, N Kochev, G Owen, J Chang, EL Willighagen, F Ehrhart, L Rieswijk, V Hongisto, P Nymark, P Kohonen, R Grafström, B Hardy
Toxicology Letters
(2016)
258
(doi: 10.1016/j.toxlet.2016.06.1481)
Decision Trees for Continuous Data and Conditional Mutual Information as a Criterion for Splitting Instances
G Drakakis, S Moledina, C Chomenidis, P Doganis, H Sarimveis
Combinatorial chemistry & high throughput screening
(2016)
19
(doi: 10.2174/1386207319666160414105217)
Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes.
SZ Mohamad Zobir, F Mohd Fauzi, S Liggi, G Drakakis, X Fu, T-P Fan, A Bender
Evidence-Based Complementary and Alternative Medicine
(2016)
2016
(doi: 10.1155/2016/2106465)
Answering scientific questions with linked European nanosafety data
E Willighagen, M Rautenberg, D Gebele, L Rieswijk, F Ehrhart, J Chang, G Drakakis, P Nymark, P Kohonen, G Owen, H Sarimveis, C Helma, N Jeliazkova
Ceur Workshop Proceedings
(2016)
1795
Target prediction utilising negative bioactivity data covering large chemical space.
LH Mervin, AM Afzal, G Drakakis, R Lewis, O Engkvist, A Bender
J Cheminform
(2015)
7
(doi: 10.1186/s13321-015-0098-y)
Comparing global and local likelihood score thresholds in multiclass laplacian-modified Naive Bayes protein target prediction.
G Drakakis, A Koutsoukas, SC Brewerton, MJ Bodkin, DA Evans, A Bender
Comb Chem High Throughput Screen
(2015)
18
(doi: 10.2174/1386207318666150305145012)
Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts
S Liggi, G Drakakis, A Koutsoukas, I Cortes-Ciriano, P Martínez-Alonso, TE Malliavin, A Velazquez-Campoy, SC Brewerton, MJ Bodkin, DA Evans, RC Glen, JA Carrodeguas, A Bender
Future medicinal chemistry
(2014)
6
(doi: 10.4155/fmc.14.137)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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