Christos A. Nicolaou

Publication Activity (10 Years)

Years Active: 2001-2022
Publications (10 Years): 6

Top Topics

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Wendy A. Warr, Marc C. Nicklaus, Christos A. Nicolaou, Matthias Rarey
Exploration of Ultralarge Compound Collections for Drug Discovery. J. Chem. Inf. Model. 62 (9) (2022)
Oscar Méndez-Lucio, Christos A. Nicolaou, Berton Earnshaw
MolE: a molecular foundation model for drug discovery. CoRR (2022)
Christos A. Nicolaou, Ian A. Watson, Mark Lemasters, Thierry Masquelin, Ji-Bo Wang
Context Aware Data-Driven Retrosynthetic Analysis. J. Chem. Inf. Model. 60 (6) (2020)
Yadi Zhou, Suntara Cahya, Steven A. Combs, Christos A. Nicolaou, Ji-Bo Wang, Prashant V. Desai, Jie Shen
Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets. J. Chem. Inf. Model. 59 (3) (2019)
Ian A. Watson, Ji-Bo Wang, Christos A. Nicolaou
A retrosynthetic analysis algorithm implementation. J. Cheminformatics 11 (1) (2019)
Christos A. Nicolaou, Ian A. Watson, Hong Hu, Ji-Bo Wang
The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space. J. Chem. Inf. Model. 56 (7) (2016)
Kleo G. Achilleos, Christos C. Kannas, Christos A. Nicolaou, Constantinos S. Pattichis, Vasilis J. Promponas
Open source workflow systems in life sciences informatics. BIBE (2012)
Christos C. Kannas, Kleo G. Achilleos, Zinonas C. Antoniou, Christos A. Nicolaou, Constantinos S. Pattichis, Ioanna Kalvari, Ioannis Kirmitzoglou, Vasilis J. Promponas
A workflow system for virtual screening in cancer chemoprevention. BIBE (2012)
Christos A. Nicolaou, Joannis Apostolakis, Constantinos S. Pattichis
De Novo Drug Design Using Multiobjective Evolutionary Graphs. J. Chem. Inf. Model. 49 (2) (2009)
Christos A. Nicolaou, Susan Y. Tamura, Brian P. Kelley, Susan I. Bassett, Ruth F. Nutt
Analysis of Large Screening Data Sets via Adaptively Grown Phylogenetic-Like Trees. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
John MacCuish, Christos A. Nicolaou, Norah E. MacCuish
Ties in Proximity and Clustering Compounds. J. Chem. Inf. Comput. Sci. 41 (1) (2001)