Christos A Nicolaou
Christos A Nicolaou
Discovery Chemistry, Eli Lilly & Co.
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Cited by
Cited by
Multi-objective optimization methods in drug design
CA Nicolaou, N Brown
Drug Discovery Today: Technologies 10 (3), e427-e435, 2013
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
Molecular optimization using computational multi-objective methods
CA Nicolaou, N Brown, CS Pattichis
Current Opinion in Drug Discovery and Development 10 (3), 316, 2007
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
Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering
JD MacCuish, CA Nicolaou
US Patent 6,625,585, 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
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
HIV-1 integrase: from biology to chemotherapeutics
E Zeinalipour-Loizidou, C Nicolaou, A Nicolaides, LG Kostrikis
Current HIV research 5 (4), 365-388, 2007
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
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
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
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
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
A retrosynthetic analysis algorithm implementation
IA Watson, J Wang, CA Nicolaou
Journal of cheminformatics 11 (1), 1-12, 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
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
Human shape recognition using the method of moments and artificial neural networks
CA Nicolaou, J AL Egbert, RC Lacher, SI Bassett
Neural Networks, 1999. IJCNN'99. International Joint Conference on 5, 3147-3151, 1999
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
Molecular library design using multi-objective optimization methods
CA Nicolaou, CC Kannas
Chemical Library Design, 53-69, 2011
Selectivity data: assessment, predictions, concordance, and implications
C Gao, S Cahya, CA Nicolaou, J Wang, IA Watson, DJ Cummins, ...
Journal of medicinal chemistry 56 (17), 6991-7002, 2013
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