Lemont B. Kier - researchr alias

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Viewing Publication 1 - 32 from 32

2012

Modeling Drug-Induced Anorexia by Molecular TopologyMaría Gálvez-Llompart, Jorge Gálvez, Ramón García-Domenech, Lemont B. Kier. jcisd, 52(5):1337-1344, 2012. [doi]

2009

A Computational Analysis of the Synergistic Effect of Coagulation Inhibitors on the Generation of ThrombinNathan B. Menke, Kevin R. Ward, Lemont B. Kier, Chao-Kun Cheng, Umesh R. Desai. aaaifs 2009: [doi]

2003

QSAR modeling of beta-lactam binding to human serum proteinsL. Mark Hall, Lowell H. Hall, Lemont B. Kier. jcamd, 17(2-4):103-118, 2003.

Modeling Drug Albumin Binding Affinity with E-State Topological Structure RepresentationL. Mark Hall, Lowell H. Hall, Lemont B. Kier. jcisd, 43(6):2120-2128, 2003. [doi]

Studies of Ligand Diffusion Pathways over a Protein SurfaceLemont B. Kier, Cho-Kung Cheng, Bernard Testa. jcisd, 43(1):255-258, 2003. [doi]

2002

Modeling Blood-Brain Barrier Partitioning Using the Electrotopological StateKimberly Rose, Lowell H. Hall, Lemont B. Kier. jcisd, 42(3):651-666, 2002. [doi]

A Cellular Automata Model of Water Structuring by a Chiral SoluteBernard Testa, Lemont B. Kier, Chao-Kun Cheng. jcisd, 42(3):712-716, 2002. [doi]

2001

A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle SystemBernard Testa, Lemont B. Kier, Chun-Kao Cheng, Joachim Mayer. entropy, 3(2):27-57, 2001. [doi]

2000

The E-State as the Basis for Molecular Structure Space Definition and Structure SimilarityLowell H. Hall, Lemont B. Kier. jcisd, 40(3):784-791, 2000. [doi]

Intermolecular Accessibility: The Meaning of Molecular ConnectivityLemont B. Kier, Lowell H. Hall. jcisd, 40(3):792-795, 2000. [doi]

A Cellular Automata Model of Bond Interactions Among MoleculesLemont B. Kier. jcisd, 40(5):1285-1288, 2000. [doi]

Emergence and Dissolvence in the Self-organisation of Complex SystemsBernard Testa, Lemont B. Kier. entropy, 2(1):1-25, 2000. [doi]

1999

A Cellular Automata Model of the Percolation ProcessLemont B. Kier, Chao-Kun Cheng, Bernard Testa. jcisd, 39(2):326-332, 1999. [doi]

Cellular automata models of biochemical phenomenaLemont B. Kier, Chao-Kun Cheng, Bernard Testa. fgcs, 16(2-3):273-289, 1999. [doi]

1998

A Cellular Automata Model of Acid DissociationLemont B. Kier, Chao-Kun Cheng, Michael Tute, Paul G. Seybold. jcisd, 38(2):271-275, 1998. [doi]

1997

The E-State as an Extended Free ValenceLemont B. Kier, Lowell H. Hall. jcisd, 37(3):548-552, 1997. [doi]

Simulation of First-Order Chemical Kinetics Using Cellular AutomataPaul G. Seybold, Lemont B. Kier, Chao-Kung Cheng. jcisd, 37(2):386-391, 1997. [doi]

1996

E-state fields: Applications to 3D QSARGlen Eugene Kellogg, Lemont B. Kier, Patrick Gaillard, Lowell H. Hall. jcamd, 10(6):513-520, 1996.

Complex systems in drug research: II. The ligand - active site - water confluence as a complex systemLemont B. Kier, Bernard Testa. complexity, 1(4):37-42, 1996. [doi]

Complex systems in drug research: I. The chemical levelsBernard Testa, Lemont B. Kier. complexity, 1(4):29-36, 1996. [doi]

1995

A Cellular Automata Model of Oil-Water PartitioningChao-Kung Cheng, Lemont B. Kier. jcisd, 35(6):1054-1059, 1995.

Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State InformationLowell H. Hall, Lemont B. Kier. jcisd, 35(6):1039-1045, 1995.

Molecular Similarity Based on Novel Atom-Type Electrotopological State IndicesLowell H. Hall, Lemont B. Kier, Briscoe B. Brown. jcisd, 35(6):1074-1080, 1995.

1994

A Cellular Automata Model of an Aqueous SolutionLemont B. Kier, Chao-Kun Cheng. jcisd, 34(6):1334-1337, 1994. [doi]

A Cellular Automata Model of WaterLemont B. Kier, Chao-Kun Cheng. jcisd, 34(3):647-652, 1994. [doi]

1993

Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3Lowell H. Hall, Robert S. Dailey, Lemont B. Kier. jcisd, 33(4):598-603, 1993. [doi]

Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equationsLowell H. Hall, Lemont B. Kier, Jack W. Frazer. jcisd, 33(1):148-152, 1993. [doi]

Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree countsLemont B. Kier, Lowell H. Hall, Jack W. Frazer. jcisd, 33(1):143-147, 1993. [doi]

1992

Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogsAlexandru T. Balaban, Lemont B. Kier, Nikhil Joshi. jcisd, 32(3):237-244, 1992. [doi]

Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4Alexandru T. Balaban, Nikhil Joshi, Lemont B. Kier, Lowell H. Hall. jcisd, 32(3):233-237, 1992. [doi]

1991

The electrotopological state: structure information at the atomic level for molecular graphsLowell H. Hall, Brian Mohney, Lemont B. Kier. jcisd, 31(1):76-82, 1991. [doi]

1980

Method for Generating a Chemical Reaction Index for Storage and Retrieval of InformationMargaret A. Mosby, Lemont B. Kier. jcisd, 20(4):217-221, 1980. [doi]

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