2003 |
26 | EE | Lemont B. Kier,
Cho-Kung Cheng,
Bernard Testa:
Studies of Ligand Diffusion Pathways over a Protein Surface.
Journal of Chemical Information and Computer Sciences 43(1): 255-258 (2003) |
25 | EE | L. Mark Hall,
Lowell H. Hall,
Lemont B. Kier:
Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation.
Journal of Chemical Information and Computer Sciences 43(6): 2120-2128 (2003) |
24 | | L. Mark Hall,
Lowell H. Hall,
Lemont B. Kier:
QSAR modeling of beta-lactam binding to human serum proteins.
Journal of Computer-Aided Molecular Design 17(2-4): 103-118 (2003) |
2002 |
23 | EE | Kimberly Rose,
Lowell H. Hall,
Lemont B. Kier:
Modeling Blood-Brain Barrier Partitioning Using the Electrotopological State.
Journal of Chemical Information and Computer Sciences 42(3): 651-666 (2002) |
22 | EE | Bernard Testa,
Lemont B. Kier,
Chao-Kun Cheng:
A Cellular Automata Model of Water Structuring by a Chiral Solute.
Journal of Chemical Information and Computer Sciences 42(3): 712-716 (2002) |
2000 |
21 | EE | Lowell H. Hall,
Lemont B. Kier:
The E-State as the Basis for Molecular Structure Space Definition and Structure Similarity.
Journal of Chemical Information and Computer Sciences 40(3): 784-791 (2000) |
20 | EE | Lemont B. Kier,
Lowell H. Hall:
Intermolecular Accessibility: The Meaning of Molecular Connectivity.
Journal of Chemical Information and Computer Sciences 40(3): 792-795 (2000) |
19 | EE | Lemont B. Kier:
A Cellular Automata Model of Bond Interactions Among Molecules.
Journal of Chemical Information and Computer Sciences 40(5): 1285-1288 (2000) |
1999 |
18 | EE | Lemont B. Kier,
Chao-Kun Cheng,
Bernard Testa:
Cellular automata models of biochemical phenomena.
Future Generation Comp. Syst. 16(2-3): 273-289 (1999) |
17 | EE | Lemont B. Kier,
Chao-Kun Cheng,
Bernard Testa:
A Cellular Automata Model of the Percolation Process.
Journal of Chemical Information and Computer Sciences 39(2): 326-332 (1999) |
1998 |
16 | EE | Lemont B. Kier,
Chao-Kun Cheng,
Michael Tute,
Paul G. Seybold:
A Cellular Automata Model of Acid Dissociation.
Journal of Chemical Information and Computer Sciences 38(2): 271-275 (1998) |
1997 |
15 | EE | Paul G. Seybold,
Lemont B. Kier,
Chao-Kung Cheng:
Simulation of First-Order Chemical Kinetics Using Cellular Automata.
Journal of Chemical Information and Computer Sciences 37(2): 386-391 (1997) |
14 | EE | Lemont B. Kier,
Lowell H. Hall:
The E-State as an Extended Free Valence.
Journal of Chemical Information and Computer Sciences 37(3): 548-552 (1997) |
1996 |
13 | | Glen Eugene Kellogg,
Lemont B. Kier,
Patrick Gaillard,
Lowell H. Hall:
E-state fields: Applications to 3D QSAR.
Journal of Computer-Aided Molecular Design 10(6): 513-520 (1996) |
1995 |
12 | | Lowell H. Hall,
Lemont B. Kier:
Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information.
Journal of Chemical Information and Computer Sciences 35(6): 1039-1045 (1995) |
11 | | Chao-Kung Cheng,
Lemont B. Kier:
A Cellular Automata Model of Oil-Water Partitioning.
Journal of Chemical Information and Computer Sciences 35(6): 1054-1059 (1995) |
10 | | Lowell H. Hall,
Lemont B. Kier,
Briscoe B. Brown:
Molecular Similarity Based on Novel Atom-Type Electrotopological State Indices.
Journal of Chemical Information and Computer Sciences 35(6): 1074-1080 (1995) |
1994 |
9 | EE | Lemont B. Kier,
Chao-Kun Cheng:
A Cellular Automata Model of Water.
Journal of Chemical Information and Computer Sciences 34(3): 647-652 (1994) |
8 | EE | Lemont B. Kier,
Chao-Kun Cheng:
A Cellular Automata Model of an Aqueous Solution.
Journal of Chemical Information and Computer Sciences 34(6): 1334-1337 (1994) |
1993 |
7 | EE | Lemont B. Kier,
Lowell H. Hall,
Jack W. Frazer:
Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts.
Journal of Chemical Information and Computer Sciences 33(1): 143-147 (1993) |
6 | EE | Lowell H. Hall,
Lemont B. Kier,
Jack W. Frazer:
Design of molecules from quantitative structure-activity relationship models. 2. Derivation and proof of information transfer relating equations.
Journal of Chemical Information and Computer Sciences 33(1): 148-152 (1993) |
5 | EE | Lowell H. Hall,
Robert S. Dailey,
Lemont B. Kier:
Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3.
Journal of Chemical Information and Computer Sciences 33(4): 598-603 (1993) |
1992 |
4 | EE | Alexandru T. Balaban,
Nikhil Joshi,
Lemont B. Kier,
Lowell H. Hall:
Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4.
Journal of Chemical Information and Computer Sciences 32(3): 233-237 (1992) |
3 | EE | Alexandru T. Balaban,
Lemont B. Kier,
Nikhil Joshi:
Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs.
Journal of Chemical Information and Computer Sciences 32(3): 237-244 (1992) |
1991 |
2 | EE | Lowell H. Hall,
Brian Mohney,
Lemont B. Kier:
The electrotopological state: structure information at the atomic level for molecular graphs.
Journal of Chemical Information and Computer Sciences 31(1): 76-82 (1991) |
1980 |
1 | EE | Margaret A. Mosby,
Lemont B. Kier:
Method for Generating a Chemical Reaction Index for Storage and Retrieval of Information.
Journal of Chemical Information and Computer Sciences 20(4): 217-221 (1980) |