Method for Generating a Chemical Reaction Index for Storage and Retrieval of Information. - Margaret A. Mosby; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 1980)

The electrotopological state: structure information at the atomic level for molecular graphs. - Lowell H. Hall; Brian Mohney; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 1991)

Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4. - Alexandru T. Balaban; Nikhil Joshi; Lemont B. Kier; Lowell H. Hall (J. Chem. Inf. Comput. Sci., 1992)

Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs. - Alexandru T. Balaban; Lemont B. Kier; Nikhil Joshi (J. Chem. Inf. Comput. Sci., 1992)

Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3. - Lowell H. Hall; Robert S. Dailey; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 1993)

Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equations. - Lowell H. Hall; Lemont B. Kier; Jack W. Frazer (J. Chem. Inf. Comput. Sci., 1993)

Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts. - Lemont B. Kier; Lowell H. Hall; Jack W. Frazer (J. Chem. Inf. Comput. Sci., 1993)

A Cellular Automata Model of Water. - Lemont B. Kier; Chao-Kun Cheng (J. Chem. Inf. Comput. Sci., 1994)

A Cellular Automata Model of an Aqueous Solution. - Lemont B. Kier; Chao-Kun Cheng (J. Chem. Inf. Comput. Sci., 1994)

A Cellular Automata Model of Oil-Water Partitioning. - Chao-Kung Cheng; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 1995)

Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information. - Lowell H. Hall; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 1995)

Molecular Similarity Based on Novel Atom-Type Electrotopological State Indices. - Lowell H. Hall; Lemont B. Kier; Briscoe B. Brown (J. Chem. Inf. Comput. Sci., 1995)

Complex systems in drug research: II. The ligand - active site - water confluence as a complex system. - Lemont B. Kier; Bernard Testa (Complex., 1996)

Complex systems in drug research: I. The chemical levels. - Bernard Testa; Lemont B. Kier (Complex., 1996)

E-state fields: Applications to 3D QSAR. - Glen Eugene Kellogg; Lemont B. Kier; Patrick Gaillard; Lowell H. Hall (J. Comput. Aided Mol. Des., 1996)

The E-State as an Extended Free Valence. - Lemont B. Kier; Lowell H. Hall (J. Chem. Inf. Comput. Sci., 1997)

Simulation of First-Order Chemical Kinetics Using Cellular Automata. - Paul G. Seybold; Lemont B. Kier; Chao-Kung Cheng (J. Chem. Inf. Comput. Sci., 1997)

A Cellular Automata Model of Acid Dissociation. - Lemont B. Kier; Chao-Kun Cheng; Michael Tute; Paul G. Seybold (J. Chem. Inf. Comput. Sci., 1998)

Cellular automata models of biochemical phenomena. - Lemont B. Kier; Chao-Kun Cheng; Bernard Testa (Future Gener. Comput. Syst., 1999)

A Cellular Automata Model of the Percolation Process. - Lemont B. Kier; Chao-Kun Cheng; Bernard Testa (J. Chem. Inf. Comput. Sci., 1999)

Emergence and Dissolvence in the Self-organisation of Complex Systems. - Bernard Testa; Lemont B. Kier (Entropy, 2000)

The E-State as the Basis for Molecular Structure Space Definition and Structure Similarity. - Lowell H. Hall; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 2000)

A Cellular Automata Model of Bond Interactions Among Molecules. - Lemont B. Kier (J. Chem. Inf. Comput. Sci., 2000)

Intermolecular Accessibility: The Meaning of Molecular Connectivity. - Lemont B. Kier; Lowell H. Hall (J. Chem. Inf. Comput. Sci., 2000)

A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle System. - Bernard Testa; Lemont B. Kier; Chun-Kao Cheng; Joachim Mayer (Entropy, 2001)

Modeling Blood-Brain Barrier Partitioning Using the Electrotopological State. - Kimberly Rose; Lowell H. Hall; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 2002)

A Cellular Automata Model of Water Structuring by a Chiral Solute. - Bernard Testa; Lemont B. Kier; Chao-Kun Cheng (J. Chem. Inf. Comput. Sci., 2002)

QSAR modeling of beta-lactam binding to human serum proteins. - L. Mark Hall; Lowell H. Hall; Lemont B. Kier (J. Comput. Aided Mol. Des., 2003)

Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation. - L. Mark Hall; Lowell H. Hall; Lemont B. Kier (J. Chem. Inf. Comput. Sci., 2003)

Studies of Ligand Diffusion Pathways over a Protein Surface. - Lemont B. Kier; Cho-Kung Cheng; Bernard Testa (J. Chem. Inf. Comput. Sci., 2003)

A Computational Analysis of the Synergistic Effect of Coagulation Inhibitors on the Generation of Thrombin. - Nathan B. Menke; Kevin R. Ward; Lemont B. Kier; Chao-Kun Cheng; Umesh R. Desai (AAAI Fall Symposium: Complex Adaptive Systems and the Threshold Effect, 2009)

Cellular Automata Modeling of Complex Biochemical Systems. - Lemont B. Kier; Paul G. Seybold (Encyclopedia of Complexity and Systems Science, 2009)

Modeling Drug-Induced Anorexia by Molecular Topology. - María Gálvez-Llompart; Jorge Gálvez; Ramón García-Domenech; Lemont B. Kier (J. Chem. Inf. Model., 2012)