Human shape recognition using the method of moments and artificial neural networks. - Christodoulos A. Nicolaou; Allan L. Egbert Jr.; Robert Christopher Lacher; Susan I. Bassett (IJCNN, 1999)

Identification of Lead Compounds in Pharmaceutical Data Using Data Mining Techniques. - Christodoulos A. Nicolaou (Panhellenic Conference on Informatics, 2001)

Ties in Proximity and Clustering Compounds. - John MacCuish; Christos A. Nicolaou; Norah E. MacCuish (J. Chem. Inf. Comput. Sci., 2001)

Analysis of Large Screening Data Sets via Adaptively Grown Phylogenetic-Like Trees. - Christos A. Nicolaou; Susan Y. Tamura; Brian P. Kelley; Susan I. Bassett; Ruth F. Nutt (J. Chem. Inf. Comput. Sci., 2002)

De Novo Drug Design Using Multiobjective Evolutionary Graphs. - Christos A. Nicolaou; Joannis Apostolakis; Constantinos S. Pattichis (J. Chem. Inf. Model., 2009)

Open source workflow systems in life sciences informatics. - Kleo G. Achilleos; Christos C. Kannas; Christos A. Nicolaou; Constantinos S. Pattichis; Vasilis J. Promponas (BIBE, 2012)

A workflow system for virtual screening in cancer chemoprevention. - Christos C. Kannas; Kleo G. Achilleos; Zinonas C. Antoniou; Christos A. Nicolaou; Constantinos S. Pattichis; Ioanna Kalvari; Ioannis Kirmitzoglou; Vasilis J. Promponas (BIBE, 2012)

The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space. - Christos A. Nicolaou; Ian A. Watson; Hong Hu; Ji-Bo Wang (J. Chem. Inf. Model., 2016)

A retrosynthetic analysis algorithm implementation. - Ian A. Watson; Ji-Bo Wang; Christos A. Nicolaou (J. Cheminformatics, 2019)

Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets. - Yadi Zhou; Suntara Cahya; Steven A. Combs; Christos A. Nicolaou; Ji-Bo Wang; Prashant V. Desai; Jie Shen 006 (J. Chem. Inf. Model., 2019)

Context Aware Data-Driven Retrosynthetic Analysis. - Christos A. Nicolaou; Ian A. Watson; Mark Lemasters; Thierry Masquelin; Ji-Bo Wang (J. Chem. Inf. Model., 2020)

MolE: a molecular foundation model for drug discovery. - Oscar Méndez-Lucio; Christos A. Nicolaou; Berton Earnshaw (CoRR, 2022)

Exploration of Ultralarge Compound Collections for Drug Discovery. - Wendy A. Warr; Marc C. Nicklaus; Christos A. Nicolaou; Matthias Rarey (J. Chem. Inf. Model., 2022)