| Multi-objective optimization methods in drug design CA Nicolaou, N Brown Drug Discovery Today: Technologies 10 (3), e427-e435, 2013 | 222 | 2013 |
| Current and future roles of artificial intelligence in medicinal chemistry synthesis TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ... Journal of medicinal chemistry 63 (16), 8667-8682, 2020 | 204 | 2020 |
| De novo drug design using multiobjective evolutionary graphs CA Nicolaou, J Apostolakis, CS Pattichis Journal of chemical information and modeling 49 (2), 295-307, 2009 | 144 | 2009 |
| Molecular property prediction: recent trends in the era of artificial intelligence J Shen, CA Nicolaou Drug Discovery Today: Technologies 32, 29-36, 2019 | 122 | 2019 |
| Molecular optimization using computational multi-objective methods CA Nicolaou, N Brown, CS Pattichis Current Opinion in Drug Discovery and Development 10 (3), 316, 2007 | 119 | 2007 |
| Exploration of ultralarge compound collections for drug discovery WA Warr, MC Nicklaus, CA Nicolaou, M Rarey Journal of Chemical Information and Modeling 62 (9), 2021-2034, 2022 | 100 | 2022 |
| The Proximal Lilly Collection: mapping, exploring and exploiting feasible chemical space CA Nicolaou, IA Watson, H Hu, J Wang Journal of chemical information and modeling 56 (7), 1253-1266, 2016 | 97 | 2016 |
| Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets Y Zhou, S Cahya, SA Combs, CA Nicolaou, J Wang, PV Desai, J Shen Journal of chemical information and modeling 59 (3), 1005-1016, 2018 | 80 | 2018 |
| Analysis of large screening data sets via adaptively grown phylogenetic-like trees CA Nicolaou, SY Tamura, BP Kelley, SI Bassett, RF Nutt Journal of chemical information and computer sciences 42 (5), 1069-1079, 2002 | 72 | 2002 |
| Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering JD MacCuish, CA Nicolaou US Patent 6,625,585, 2003 | 71 | 2003 |
| Ties in proximity and clustering compounds J MacCuish, C Nicolaou, NE MacCuish Journal of Chemical Information and Computer Sciences 41 (1), 134-146, 2001 | 66 | 2001 |
| Method and system for artificial intelligence directed lead discovery through multi-domain clustering CA Nicolaou, BP Kelley, RF Nutt, SI Bassett US Patent 6,904,423, 2005 | 60 | 2005 |
| HIV-1 integrase: from biology to chemotherapeutics E Zeinalipour-Loizidou, C Nicolaou, A Nicolaides, LG Kostrikis Current HIV research 5 (4), 365-388, 2007 | 54 | 2007 |
| Multi-objective optimization methods in de novo drug design C A Nicolaou, C Kannas, E Loizidou Mini reviews in medicinal chemistry 12 (10), 979-987, 2012 | 51 | 2012 |
| Navigating the DNA encoded libraries chemical space A Martín, CA Nicolaou, MA Toledo Communications Chemistry 3 (1), 127, 2020 | 50 | 2020 |
| A retrosynthetic analysis algorithm implementation IA Watson, J Wang, CA Nicolaou Journal of cheminformatics 11, 1-12, 2019 | 47 | 2019 |
| Idea2Data: Toward a New Paradigm for Drug Discovery CA Nicolaou, C Humblet, H Hu, EM Martin, FC Dorsey, TM Castle, ... ACS medicinal chemistry letters 10 (3), 278-286, 2019 | 39 | 2019 |
| Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains JA Johnson, CA Nicolaou, SE Kirberger, AK Pandey, H Hu, ... ACS Medicinal Chemistry Letters 10 (12), 1648-1654, 2019 | 36 | 2019 |
| Context Aware Data-Driven Retrosynthetic Analysis CA Nicolaou, IA Watson, M LeMasters, T Masquelin, J Wang Journal of chemical information and modeling 60 (6), 2728-2738, 2020 | 29 | 2020 |
| Building a tool to help teachers analyse learners’ interactions in a networked learning environment O Petropoulou, I Altanis, S Retalis, CA Nicolaou, C Kannas, M Vasiliadou, ... Educational Media International 47 (3), 231-246, 2010 | 18 | 2010 |
Constantinos S. PattichisProf. of Computer Science, University of Cyprus & HealthXR Group, CYENS Centre of Excellence, CYPRUSDirección de correo verificada de ucy.ac.cy
