Christos A. Nicolaou

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