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The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space

Journal of chemical information and modeling, 2016-07, Vol.56 (7), p.1253-1266

2016

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Context Aware Data-Driven Retrosynthetic Analysis

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.2728-2738

2020

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A retrosynthetic analysis algorithm implementation

Journal of cheminformatics, 2019-01, Vol.11 (1), p.1-1, Article 1

2019

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Exploration of Ultralarge Compound Collections for Drug Discovery

Journal of chemical information and modeling, 2022-05, Vol.62 (9), p.2021-2034

2022

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Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Journal of medicinal chemistry, 2020-08, Vol.63 (16), p.8667-8682

2020

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Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1005-1016

2019

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Multi-objective optimization methods in drug design

Drug discovery today. Technologies, 2013-09, Vol.10 (3), p.e427-e435

2013

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Molecular property prediction: recent trends in the era of artificial intelligence

Drug discovery today. Technologies, 2019-12, Vol.32-33, p.29-36

2019

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Navigating the DNA encoded libraries chemical space

Communications chemistry, 2020-09, Vol.3 (1), p.127-127, Article 127

2020

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LiSIs: An Online Scientific Workflow System for Virtual Screening

Combinatorial chemistry & high throughput screening, 2015-01, Vol.18 (3), p.281-295

2015

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De Novo Drug Design Using Multiobjective Evolutionary Graphs

Journal of Chemical Information and Modeling, 2009-02, Vol.49 (2), p.295-307

2009

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Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains

ACS medicinal chemistry letters, 2019-12, Vol.10 (12), p.1648-1654

2019

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Idea2Data: Toward a New Paradigm for Drug Discovery

ACS medicinal chemistry letters, 2019-03, Vol.10 (3), p.278-286

2019

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Discovery of selective RIO2 kinase small molecule ligand

Biochimica et biophysica acta, 2015-10, Vol.1854 (10), p.1630-1636

2015

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Selectivity Data: Assessment, Predictions, Concordance, and Implications

Journal of medicinal chemistry, 2013-09, Vol.56 (17), p.6991-7002

2013

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Molecular optimization using computational multi-objective methods

Current opinion in drug discovery & development, 2007-05, Vol.10 (3), p.316

2007

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A Parallel implementation of a Multi-objective Evolutionary Algorithm

2009 9th International Conference on Information Technology and Applications in Biomedicine, 2009, p.1-6

2009

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Optimal graph design using a knowledge-driven multi-objective evolutionary graph algorithm

2009 9th International Conference on Information Technology and Applications in Biomedicine, 2009, p.1-6

2009

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Multi-objective de novo adrug design using evolutionary graphs

Chemistry Central journal, 2008-03, Vol.2 (S1), Article P7

2008

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Automated Lead Discovery and Development in HTS Datasets

Journal of Laboratory Automation, 2001-04, Vol.6 (2), p.60-62

Nicolaou, Christos A.

2001

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Deriving Quantitative Structure-Activity Relationship Models Using Genetic Programming for Drug Discovery

2007 6th International Special Topic Conference on Information Technology Applications in Biomedicine, 2007, p.277-280

2007

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Seroprevalence of immunoglobulin G antibodies against SARS-CoV-2 in Cyprus

PloS one, 2022-06, Vol.17 (6), p.e0269885

2022

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Bilinear Models of Parts and Appearances in Generative Adversarial Networks

IEEE transactions on pattern analysis and machine intelligence, 2024-06, Vol.PP, p.1-12

2024

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Trust in Authorities and Demographic Factors Affect Vaccine Acceptance During the COVID-19 Pandemic in Cyprus

European journal of psychology open, 2021-09, Vol.80 (1-2), p.88-97

2021

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Spatial Knowledge Acquisition for Pedestrian Navigation: A Comparative Study between Smartphones and AR Glasses

Information (Basel), 2023-07, Vol.14 (7), p.353

2023

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The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space

Context Aware Data-Driven Retrosynthetic Analysis

A retrosynthetic analysis algorithm implementation

Exploration of Ultralarge Compound Collections for Drug Discovery

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets

Multi-objective optimization methods in drug design

Molecular property prediction: recent trends in the era of artificial intelligence

Navigating the DNA encoded libraries chemical space

LiSIs: An Online Scientific Workflow System for Virtual Screening

De Novo Drug Design Using Multiobjective Evolutionary Graphs

Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains

Idea2Data: Toward a New Paradigm for Drug Discovery

Discovery of selective RIO2 kinase small molecule ligand

Selectivity Data: Assessment, Predictions, Concordance, and Implications

Molecular optimization using computational multi-objective methods

A Parallel implementation of a Multi-objective Evolutionary Algorithm

Optimal graph design using a knowledge-driven multi-objective evolutionary graph algorithm

Multi-objective de novo adrug design using evolutionary graphs

Automated Lead Discovery and Development in HTS Datasets

Deriving Quantitative Structure-Activity Relationship Models Using Genetic Programming for Drug Discovery

Seroprevalence of immunoglobulin G antibodies against SARS-CoV-2 in Cyprus

Bilinear Models of Parts and Appearances in Generative Adversarial Networks

Trust in Authorities and Demographic Factors Affect Vaccine Acceptance During the COVID-19 Pandemic in Cyprus

Spatial Knowledge Acquisition for Pedestrian Navigation: A Comparative Study between Smartphones and AR Glasses

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