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Data-Driven Drug Discovery and Molecular Informatics

Georgios Drakakis

Research Associate

Publications

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 Sarimveis
– Journal of Chemical Information and Modeling
(2017)
57,
2161
(doi: 10.1021/acs.jcim.7b00223)
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,
1593
(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,
2161
(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,
S118
(link to publication)
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,
S118
(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 and High Throughput Screening
(2016)
19,
423
(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
– Evid Based Complement Alternat Med
(2016)
2016,
1
(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
– Journal of Cheminformatics
(2015)
7,
51
(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,
323
(doi: 10.2174/1386207318666150305145012)
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Study at Cambridge

About the University

Research at Cambridge