Gregory D. Grunwald

发表

Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach

Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald, 1997, J. Chem. Inf. Comput. Sci..

A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient

Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald, 1996, J. Chem. Inf. Comput. Sci..

Topological Indices: Their Nature and Mutual Relatedness

Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald, 2000, J. Chem. Inf. Comput. Sci..

Use of Statistical and Neural Net Approaches in Predicting Toxicity of Chemicals

David W. Opitz, Subhash C. Basak, Brian D. Gute, 2000, J. Chem. Inf. Comput. Sci..

Use of Statistical And Neural Net Methods In Predicting Toxicity Of Chemicals: A Hierarchical QSAR Approach

David W. Opitz, Subhash C. Basak, Brian D. Gute, 2007 .

Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks

Subhash C. Basak, Gregory D. Grunwald, Alexandru T. Balaban, 1994, J. Chem. Inf. Comput. Sci..

Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships

Subhash C. Basak, Gregory D. Grunwald, Sharon Bertelsen, 1994, J. Chem. Inf. Comput. Sci..

Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity

Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald, 1996 .

Molecular Similarity and Risk Assessment: Analog Selection and Property Estimation Using Graph Invariants

Subhash C. Basak, Gregory D. Grunwald, S. Basak, 1994 .

Characterization of the molecular similarity of chemicals using topological invariants

Subhash C. Basak, Brian D. Gute, Gregory D. Grunwald, 1999 .

A Hierarchical Approach to the Development of QSAR Models Using Topological, Geometrical and Quantum Chemical Parameters

Brian D. Gute, Gregory D. Grunwald, S. C. Basak, 2000 .

ESTIMATION OF LIPOPHILICITY FROM MOLECULAR STRUCTURAL SIMILARITY

Subhash C. Basak, Gregory D. Grunwald, S. Basak, 1995 .

A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action

Gerald J. Niemi, Subhash C. Basak, Gregory D. Grunwald, 1998 .