Alexander Golbraikh

According to our database1, Alexander Golbraikh authored at least 19 papers between 1993 and 2018.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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In proceedings 
Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2018
Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models.
J. Chem. Inf. Model., 2018

2014
Application of Quantitative Structure-Activity Relationship Models of 5-HT<sub>1A</sub> Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT<sub>1A</sub> Ligands.
J. Chem. Inf. Model., 2014

Data Set Modelability by QSAR.
J. Chem. Inf. Model., 2014

2013
Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening.
J. Chem. Inf. Model., 2013

2012
Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?
J. Chem. Inf. Model., 2012

2008
Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F.
J. Chem. Inf. Model., 2008

Differentiation of AmpC beta-lactamase binders vs. decoys using classification <i>k</i> NN QSAR modeling and application of the QSAR classifier to virtual screening.
J. Comput. Aided Mol. Des., 2008

2006
A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models.
J. Chem. Inf. Model., 2006

Combinatorial QSAR Modeling of P-Glycoprotein Substrates.
J. Chem. Inf. Model., 2006

2005
Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the <i>k</i> Nearest Neighbor Method and QSAR-based Database Mining.
J. Comput. Aided Mol. Des., 2005

2004
Combinatorial QSAR of Ambergris Fragrance Compounds.
J. Chem. Inf. Model., 2004

2003
QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.
J. Chem. Inf. Comput. Sci., 2003

QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology.
J. Chem. Inf. Comput. Sci., 2003

Rational selection of training and test sets for the development of validated QSAR models.
J. Comput. Aided Mol. Des., 2003

2002
Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis.
J. Chem. Inf. Comput. Sci., 2002

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection.
J. Comput. Aided Mol. Des., 2002

2001
Novel Chirality Descriptors Derived from Molecular Topology.
J. Chem. Inf. Comput. Sci., 2001

2000
Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.
J. Chem. Inf. Comput. Sci., 2000

1993
A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring.
J. Comput. Aided Mol. Des., 1993


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