José Batista

Publication Activity (10 Years)

Years Active: 2006-2020
Publications (10 Years): 1

Top Topics

Nearest Neighbor

Maximum Common Subgraph

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Christoph Grebner, Erik Malmerberg, Andrew Shewmaker, José Batista, Anthony Nicholls, Jens Sadowski
Virtual Screening in the Cloud: How Big Is Big Enough? J. Chem. Inf. Model. 60 (9) (2020)
José Batista, Paul C. D. Hawkins, Robert Tolbert, Matthew T. Geballe
SiteHopper - a unique tool for binding site comparison. J. Cheminformatics 6 (S-1) (2014)
Roger A. Sayle, José Batista, J. Andrew Grant
Efficient maximum common subgraph (MCS) searching of large chemical databases. J. Cheminformatics 5 (S-1) (2013)
José Batista
Random molecular substructures as fragment-type descriptors. J. Cheminformatics 2 (S-1) (2010)
Lu Tan, José Batista, Jürgen Bajorath
Rationalization of the Performance and Target Dependence of Similarity Searching Incorporating Protein-Ligand Interaction Information. J. Chem. Inf. Model. 50 (6) (2010)
José Batista, Lu Tan, Jürgen Bajorath
Atom-Centered Interacting Fragments and Similarity Search Applications. J. Chem. Inf. Model. 50 (1) (2010)
Eugen Lounkine, Ye Hu, José Batista, Jürgen Bajorath
Relevance of Feature Combinations for Similarity Searching Using General or Activity Class-Directed Molecular Fingerprints. J. Chem. Inf. Model. 49 (3) (2009)
José Batista, Jürgen Bajorath
Chemical Database Mining through Entropy-Based Molecular Similarity Assessment of Randomly Generated Structural Fragment Populations. J. Chem. Inf. Model. 47 (1) (2007)
José Batista, Jürgen Bajorath
Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity-Specific Fragment Hierarchies. J. Chem. Inf. Model. 47 (4) (2007)
Eugen Lounkine, José Batista, Jürgen Bajorath
Mapping of Activity-Specific Fragment Pathways Isolated from Random Fragment Populations Reveals the Formation of Coherent Molecular Cores. J. Chem. Inf. Model. 47 (6) (2007)
José Batista, Jeffrey W. Godden, Jürgen Bajorath
Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations. J. Chem. Inf. Model. 46 (5) (2006)