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List of works by Christos A Nicolaou

A retrosynthetic analysis algorithm implementation

scientific article published on 03 January 2019

Analysis of large screening data sets via adaptively grown phylogenetic-like trees.

scientific article

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

scientific article published on 03 April 2020

De novo drug design using multiobjective evolutionary graphs.

scientific article published in February 2009

Discovery of selective RIO2 kinase small molecule ligand

scientific article published on 17 April 2015

Exploration of Ultralarge Compound Collections for Drug Discovery

scientific article published on 14 April 2022

Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets

scientific article published on 11 January 2019

HIV-1 integrase: from biology to chemotherapeutics.

scientific article published on July 2007

Idea2Data: Toward a New Paradigm for Drug Discovery

scientific article published on 04 February 2019

LiSIs: An Online Scientific Workflow System for Virtual Screening

scientific article published on January 2015

Molecular Library Design Using Multi-Objective Optimization Methods ⬇️

scientific article published on January 1, 2011

Multi-objective de novo drug design using evolutionary graphs

scientific article published on 26 March 2008

Multi-objective optimization methods in drug design.

scientific article

Selectivity data: assessment, predictions, concordance, and implications.

scientific article

The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space

scientific article published on 10 June 2016

Ties in proximity and clustering compounds

scientific article published in January 2001

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