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List of works by José Batista

Atom-centered interacting fragments and similarity search applications

scientific article published on 01 January 2010

Chemical database mining through entropy-based molecular similarity assessment of randomly generated structural fragment populations

scientific article published on 01 January 2007

Computational methodologies for compound database searching that utilize experimental protein-ligand interaction information.

scientific article published on 15 July 2010

Distribution of randomly generated activity class characteristic substructures in diverse active and database compounds

scientific article published on 01 February 2008

Lipid-like sulfoxides and amine oxides as inhibitors of mast cell activation

scientific article published on 05 March 2011

Mapping of activity-specific fragment pathways isolated from random fragment populations reveals the formation of coherent molecular cores

scientific article published on 16 October 2007

Random molecular fragment methods in computational medicinal chemistry.

scientific article published on January 2008

Rationalization of the performance and target dependence of similarity searching incorporating protein-ligand interaction information

scientific article published on 01 June 2010

RelACCS-FP: a structural minimalist approach to fingerprint design

scientific article published on 01 November 2008

Relevance of feature combinations for similarity searching using general or activity class-directed molecular fingerprints

scientific article published on 01 March 2009

Similarity searching using compound class-specific combinations of substructures found in randomly generated molecular fragment populations

scientific article published on 01 January 2008

Virtual Screening in the Cloud: How Big Is Big Enough?

scientific article published on 14 November 2019

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