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 7 (1), 1-16, 2015 | 131 | 2015 |
Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis AC Ravindranath, N Perualila-Tan, A Kasim, G Drakakis, S Liggi, ... Molecular BioSystems 11 (1), 86-96, 2015 | 39 | 2015 |
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, ... Future Medicinal Chemistry 6 (18), 2029-2056, 2014 | 32 | 2014 |
Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts S Liggi, G Drakakis, AE Hendry, KM Hanson, SC Brewerton, GN Wheeler, ... Molecular Informatics 32 (11‐12), 1009-1024, 2013 | 27 | 2013 |
Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics C Chomenidis, G Drakakis, G Tsiliki, E Anagnostopoulou, A Valsamis, ... Journal of Chemical Information and Modeling 57 (9), 2161-2172, 2017 | 25 | 2017 |
Diversity Selection of Compounds Based on ‘Protein Affinity Fingerprints’ Improves Sampling of Bioactive Chemical Space HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, ... Chemical biology & drug design 82 (3), 252-266, 2013 | 22 | 2013 |
Global mapping of traditional chinese medicine into bioactivity space and pathways annotation improves mechanistic understanding and discovers relationships between therapeutic … M Zobir, S Zuraidah, F Mohd Fauzi, S Liggi, G Drakakis, X Fu, TP Fan, ... Evidence-Based Complementary and Alternative Medicine 2016, 2016 | 17 | 2016 |
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 12 (6), 1593-1602, 2017 | 12 | 2017 |
Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naïve Bayes Protein Target Prediction G Drakakis, A Koutsoukas, S C Brewerton, M J Bodkin, D A Evans, ... Combinatorial chemistry & high throughput screening 18 (3), 323-330, 2015 | 12 | 2015 |
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 19 (5), 423-428, 2016 | 9 | 2016 |
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model G Drakakis, A Koutsoukas, SC Brewerton, D Evans, A Bender Journal of Cheminformatics 5 (1), 1-1, 2013 | 7 | 2013 |
Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis G Drakakis, AE Hendry, K Hanson, SC Brewerton, MJ Bodkin, DA Evans, ... MedChemComm 5 (3), 386-396, 2014 | 4 | 2014 |
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 11 (3), e73, 2019 | 2 | 2019 |
Answering Scientific Questions with linked European Nanosafety Data. EL Willighagen, M Rautenberg, D Gebele, L Rieswijk, F Ehrhart, J Chang, ... SWAT4LS, 2016 | 2 | 2016 |
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, ... Toxicology Letters, S118-S119, 2016 | 2 | 2016 |
Drug repurposing candidates against COVID-19 G Drakakis, C Chomenidis, G Tsiliki, A Dokoumetzidis https://zenodo. org/api/files/850dc565-5ddb-4328-a25c-04bc36300b05/PPF …, 2020 | | 2020 |
Computational Modelling of Biological Responses to Engineered Nanomaterials P Doganis, G Tsiliki, G Drakakis, C Chomenidis, P Nymark, P Kohonen, ... Nanotoxicology, 276-303, 2017 | | 2017 |
Biclustering Methods in Chemoinformatics and Molecular Modelling in Drug Discovery Experiments: Connecting Gene Expression and Target Prediction Data NJ Perualila, Z Shkedy, AC Ravindranath, G Drakakis, S Liggi, A Bender, ... Applied Biclustering Methods for Big and High-Dimensional Data Using R, 175-192, 2016 | | 2016 |
Research Article Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships … SZM Zobir, FM Fauzi, S Liggi, G Drakakis, X Fu, TP Fan, A Bender | | 2016 |
Relating GPCRs pharmacological space based on ligands chemical similarities A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen Journal of cheminformatics 5 (1), 1-1, 2013 | | 2013 |