L. Xue

发表

Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules.

J. Bajorath, L. Xue, J. Godden, 1999 .

Identification of structurally diverse growth hormone secretagogue agonists by virtual screening and structure-activity relationship analysis of 2-formylaminoacetamide derivatives.

J. Bajorath, L. Xue, M. Shoda, 2004, Journal of medicinal chemistry.

Median Partitioning: A Novel Method for the Selection of Representative Subsets from Large Compound Pools

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2002, J. Chem. Inf. Comput. Sci..

Distribution of Molecular Scaffolds and R-Groups Isolated from Large Compound Databases

J. Bajorath, L. Xue, 1999 .

A dual fingerprint-based metric for the design of focused compound libraries and analogs

J. Bajorath, L. Xue, J. Godden, 2001 .

Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis.

L. Xue, J. Godden, Hua Gao, 1999 .

Classification of Biologically Active Compounds by Median Partitioning

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2002, J. Chem. Inf. Comput. Sci..

Similarity Search Profiles as a Diagnostic Tool for the Analysis of Virtual Screening Calculations

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2004, J. Chem. Inf. Model..

Mini-fingerprints for virtual screening: Design principles and generation of novel prototypes based on information theory

J. Bajorath, L. Xue, J. Godden, 2003, SAR and QSAR in environmental research.

Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2004, J. Chem. Inf. Model..

Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2000, J. Chem. Inf. Comput. Sci..

Machine learning on DNA-encoded libraries: A new paradigm for hit-finding

Xia Tian, Matthew A. Clark, Ying Zhang, 2020, Journal of medicinal chemistry.

Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.

L Xue, J Bajorath, J. Bajorath, 2000, Combinatorial chemistry & high throughput screening.

Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening

Jürgen Bajorath, Ling Xue, Florence L. Stahura, 2004, J. Chem. Inf. Model..

Cell-based partitioning.

Jürgen Bajorath, Ling Xue, Florence L Stahura, 2004, Methods in molecular biology.

Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm

Jürgen Bajorath, Ling Xue, J. Bajorath, 2000, J. Chem. Inf. Comput. Sci..

Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2001, J. Chem. Inf. Comput. Sci..

Building Extraction of SAR Images Using Morphological Attribute Profiles

Zongjie Cao, Xiaqing Yang, Lingzi Xue, 2012 .

Methods for compound selection focused on hits and application in drug discovery.

Jürgen Bajorath, Ling Xue, Florence L Stahura, 2002, Journal of molecular graphics & modelling.

Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2000, J. Chem. Inf. Comput. Sci..

Molecular scaffold-based design and comparison of combinatorial libraries focused on the ATP-binding site of protein kinases.

L Xue, L. Xue, J. Godden, 1999, Journal of molecular graphics & modelling.

\-Cyclodextrin-catalyzed effects on the hydrolysis of esters of aromatic acids

L. Xue, Dao-dao Zhang, Yongming Huang, 1987 .

Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys

Jürgen Bajorath, Ling Xue, Jeffrey W. Godden, 2003, J. Chem. Inf. Comput. Sci..

Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis

Jürgen Bajorath, Ling Xue, Hua Gao, 1999, J. Chem. Inf. Comput. Sci..