José Batista

发表

Efficient maximum common subgraph (MCS) searching of large chemical databases

Roger A. Sayle, José Batista, J. Andrew Grant, 2013, Journal of Cheminformatics.

Chemical Database Mining through Entropy-Based Molecular Similarity Assessment of Randomly Generated Structural Fragment Populations

Jürgen Bajorath, José Batista, J. Bajorath, 2007, J. Chem. Inf. Model..

Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity-Specific Fragment Hierarchies

Jürgen Bajorath, José Batista, J. Bajorath, 2007, J. Chem. Inf. Model..

Relevance of Feature Combinations for Similarity Searching Using General or Activity Class-Directed Molecular Fingerprints

Eugen Lounkine, Jürgen Bajorath, José Batista, 2009, J. Chem. Inf. Model..

Similarity Searching using Compound Class‐Specific Combinations of Substructures Found in Randomly Generated Molecular Fragment Populations

Jürgen Bajorath, José Batista, J. Bajorath, 2008, ChemMedChem.

RelACCS‐FP: A Structural Minimalist Approach to Fingerprint Design

Eugen Lounkine, Jürgen Bajorath, José Batista, 2008, Chemical biology & drug design.

Mapping of Activity-Specific Fragment Pathways Isolated from Random Fragment Populations Reveals the Formation of Coherent Molecular Cores

Eugen Lounkine, Jürgen Bajorath, José Batista, 2007, J. Chem. Inf. Model..

Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations

Jürgen Bajorath, José Batista, Jeffrey W. Godden, 2006, J. Chem. Inf. Model..

Random molecular substructures as fragment-type descriptors

José Batista, 2010, J. Cheminformatics.

Conception, development and validation of a software interface to assess human’s horizontal intra-cyclic velocity with a mechanical speedo-meter

Sergio M. Jesus, José Batista, Mário J Costa, 2011 .

Atom-Centered Interacting Fragments and Similarity Search Applications

Jürgen Bajorath, José Batista, Lu Tan, 2010, J. Chem. Inf. Model..

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

Jürgen Bajorath, José Batista, 2008, Molecular Diversity.

Rationalization of the Performance and Target Dependence of Similarity Searching Incorporating Protein-Ligand Interaction Information

Jürgen Bajorath, José Batista, Lu Tan, 2010, J. Chem. Inf. Model..

Random molecular fragment methods in computational medicinal chemistry.

Eugen Lounkine, Jürgen Bajorath, José Batista, 2008, Current medicinal chemistry.

Mining of Randomly Generated Molecular Fragment Populations Uncovers Activity‐Specific Fragment Hierarchies.

Jürgen Bajorath, José Batista, J. Bajorath, 2007 .

Hit Expansion through Computational Selectivity Searching

Jürgen Bajorath, José Batista, Dagmar Stumpfe, 2009, ChemMedChem.

Computational Methodologies for Compound Database Searching that Utilize Experimental Protein–Ligand Interaction Information

Jürgen Bajorath, José Batista, J. Bajorath, 2010, Chemical biology & drug design.

Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations.

Jürgen Bajorath, José Batista, Jeffrey W. Godden, 2006 .