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1

The Prediction of ADMET Properties Using Structure Information Representations

Lemont B. Kier, Lowell H. Hall

Journal:

Chemistry & Biodiversity

Year:

2005

Language:

english

File:

PDF, 377 KB

english, 2005

2

Structure-activity studies on mutagenicity of nitrosamines using molecular connectivity

Lemont B. Kier, Richard J. Simons, Lowell H. Hall

Journal:

Journal of Pharmaceutical Sciences

Year:

1978

Language:

english

File:

PDF, 232 KB

english, 1978

3

Correlations between chemical structure and normal boiling points of halogenated alkanes C1-C4

Balaban, Alexandru T., Joshi, Nikhil, Kier, Lemont B., Hall, Lowell H.

Journal:

Journal of Chemical Information and Modeling

Year:

1992

Language:

english

File:

PDF, 514 KB

english, 1992

4

Molecular connectivity VII: Specific treatment of heteroatoms

Lemont B. Kier, Lowell H. Hall

Journal:

Journal of Pharmaceutical Sciences

Year:

1976

Language:

english

File:

PDF, 452 KB

english, 1976

5

Structure-activity studies using valence molecular connectivity

Lowell H. Hall, Lemont B. Kier

Journal:

Journal of Pharmaceutical Sciences

Year:

1977

Language:

english

File:

PDF, 338 KB

english, 1977

6

Structure-activity studies on odor molecules using molecular connectivity

Lemont B. Kier, Thérèse Di Paolo, Lowell H. Hall

Journal:

Journal of Theoretical Biology

Year:

1977

Language:

english

File:

PDF, 611 KB

english, 1977

7

Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs

Balaban, Alexandru T., Kier, Lemont B., Joshi, Nikhil

Journal:

Journal of Chemical Information and Modeling

Year:

1992

Language:

english

File:

PDF, 812 KB

english, 1992

8

Errata. Correlations between Chemical Structure and Normal Boiling Points of Acyclic Ethers, Peroxides, Acetals, and Their Sulfur Analogues

Balaban, Alexandru, Kier, Lemont, Joshi, Nikhil

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 97 KB

english, 1993

9

Errata. Correlations between Chemical Structure and Normal Boiling Points of Halogenated Alkanes C1-C4

Balaban, Alexandru, Joshi, Nikhil, Kier, Lemont, Hall, Lowell

Journal:

Journal of Chemical Information and Modeling

Year:

1992

Language:

english

File:

PDF, 60 KB

english, 1992

10

A Model of Information Carried over a Neuron Soma

Kier, Lemont B., Hall, Lowell H.

Journal:

Chemistry & Biodiversity

Year:

2016

Language:

english

File:

PDF, 1.41 MB

english, 2016

11

Cellular automata models of kinetically and thermodynamically controlled reactions

Amy Neuforth, Paul G. Seybold, Lemont B. Kier, Chao-Kun Cheng

Journal:

International Journal of Chemical Kinetics

Year:

2000

Language:

english

File:

PDF, 126 KB

english, 2000

12

Water as a Complex System: Its Role in Ligand Diffusion, General Anesthesia, and Sleep

Journal:

Chemistry & Biodiversity

Year:

2007

Language:

english

File:

PDF, 194 KB

english, 2007

13

Biodiverse Research at the Center for the Study of Biological Complexity

Lemont B. Kier, Maria C. Rivera

Journal:

Chemistry & Biodiversity

Year:

2007

Language:

english

File:

PDF, 56 KB

english, 2007

14

Systems Biology in the Microbial World and Beyond

Zhongming Zhao, Lemont B. Kier, Gregory A. Buck

Journal:

Chemistry & Biodiversity

Year:

2010

Language:

english

File:

PDF, 101 KB

english, 2010

15

The molecular orbital theory of organic chemistry. By Michael J. S. Dewar. McGraw-Hill Book Company, New York, NY 10036, 1969. vii + 484 pp. 15.5 × 23.5 cm. Price $16.50

Journal:

Journal of Pharmaceutical Sciences

Year:

1970

Language:

english

File:

PDF, 107 KB

english, 1970

16

Molecular connectivity II: Relationship to water solubility and boiling point

Lowell H. Hall, Lemont B. Kier, Wallace J. Murray

Journal:

Journal of Pharmaceutical Sciences

Year:

1975

Language:

english

File:

PDF, 355 KB

english, 1975

17

Molecular connectivity V: Connectivity series concept applied to density

Lemont B. Kier, Wallace J. Murray, Milan Randić, Lowell H. Hall

Journal:

Journal of Pharmaceutical Sciences

Year:

1976

Language:

english

File:

PDF, 516 KB

english, 1976

18

Derivation and significance of valence molecular connectivity

Lemont B. Kier, Lowell H. Hall

Journal:

Journal of Pharmaceutical Sciences

Year:

1981

Language:

english

File:

PDF, 807 KB

english, 1981

19

General definition of valence delta-values for molecular connectivity

Lemont B. Kier, Lowell H. Hall

Journal:

Journal of Pharmaceutical Sciences

Year:

1983

Language:

english

File:

PDF, 427 KB

english, 1983

20

Chlorpromazine and serotonin: Conformational similarities correlating with activities

Journal:

Journal of Theoretical Biology

Year:

1973

Language:

english

File:

PDF, 356 KB

english, 1973

21

Structure-activity studies on hallucinogenic amphetamines using model interaction calculations

Therese Dipaolo, Lowell H. Hall, Lemont B. Kier

Journal:

Journal of Theoretical Biology

Year:

1978

Language:

english

File:

PDF, 954 KB

english, 1978

22

A cellular automata model of enzyme kinetics

Lemont B. Kier, C.-K. Cheng, Bernard Testa, Pierre-Alain Carrupt

Journal:

Journal of Molecular Graphics

Year:

1996

Language:

english

File:

PDF, 564 KB

english, 1996

23

New predictors for several ADME/Tox properties: Aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors

Joseph R. Votano, Marc Parham, Lowell H. Hall, Lemont B. Kier

Journal:

Molecular Diversity

Year:

2004

Language:

english

File:

PDF, 357 KB

english, 2004

24

A Core Process in Receptor Function, General Anesthesia, Sleep, and Aging

Lemont B. Kier, Patricia W. Slattum

Journal:

Chemistry & Biodiversity

Year:

2012

Language:

english

File:

PDF, 80 KB

english, 2012

25

Systems Biology: Molecular Networks and Disease

Zhongming Zhao, Lemont B. Kier, Gregory A. Buck

Journal:

Chemistry & Biodiversity

Year:

2012

Language:

english

File:

PDF, 99 KB

english, 2012

26

A Cellular Automata Model of Water

Kier, Lemont B., Cheng, Chao-Kun

Journal:

Journal of Chemical Information and Modeling

Year:

1994

Language:

english

File:

PDF, 2.25 MB

english, 1994

27

Structure-activity studies on hallucinogenic amphetamines using molecular connectivity

Kier, Lemont B., Hall, Lowell H.

Journal:

Journal of Medicinal Chemistry

Year:

1977

Language:

english

File:

PDF, 855 KB

english, 1977

28

Effect of Initial Temperature on Water Aggregation at a Cold Surface

Kier, Lemont B., Cheng, Chao-Kun

Journal:

Chemistry & Biodiversity

Year:

2013

Language:

english

File:

PDF, 162 KB

english, 2013

29

A Cellular Automata Model of Proton Hopping Down a Channel

Kier, Lemont B., Tombes, Robert, Hall, Lowell H., Cheng, Chao-Kun

Journal:

Chemistry & Biodiversity

Year:

2013

Language:

english

File:

PDF, 185 KB

english, 2013

30

The electrotopological state: structure information at the atomic level for molecular graphs

Hall, Lowell H., Mohney, Brian, Kier, Lemont B.

Journal:

Journal of Chemical Information and Modeling

Year:

1991

Language:

english

File:

PDF, 903 KB

english, 1991

31

Emergence and Dissolvence in the Self-organisation of Complex Systems

Testa, Bernard, Kier, Lemont B.

Journal:

Year:

2000

Language:

english

File:

PDF, 138 KB

english, 2000

32

Errata. Correlations between Chemical Structure and Normal Boiling Points of Halogenated Alkanes C1-C4

Balaban, Alexandru, Joshi, Nikhil, Kier, Lemont, Hall, Lowell

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 97 KB

english, 1993

33

Molecular connectivity. 4. Relations to biological activities

Kier, Lemont B., Murray, Wallace J., Hall, Lowell H.

Journal:

Journal of Medicinal Chemistry

Year:

1975

Language:

english

File:

PDF, 324 KB

english, 1975

34

Theoretical approach to structure-activity relations of chloramphenicol and congeners

Hoeltje, Hans D., Kier, Lemont B.

Journal:

Journal of Medicinal Chemistry

Year:

1974

Language:

english

File:

PDF, 684 KB

english, 1974

35

Proton Hopping: A Proposed Mechanism for Myelinated Axon Nerve Impulses

Kier, Lemont B., Tombes, Robert M.

Journal:

Chemistry & Biodiversity

Year:

2013

Language:

english

File:

PDF, 209 KB

english, 2013

36

The Creation of Proton Hopping from a DrugReceptor Encounter

Kier, Lemont B., Hall, Lowell H.

Journal:

Chemistry & Biodiversity

Year:

2013

Language:

english

File:

PDF, 233 KB

english, 2013

37

Water-dragging effect: a new experimental hydration parameter related to hydrogen-bond-donor acidity

Fan, Weizheng., El Tayar, Nabil., Testa, Bernard., Kier, Lemont B.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 402 KB

english, 1990

38

A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle System

Testa, Bernard, Kier, Lemont, Cheng, Chun-Kao, Mayer, Joachim

Journal:

Year:

2001

Language:

english

File:

PDF, 171 KB

english, 2001

39

Editorial: The Concepts of Pharmacophore/Toxicophores: A Philosophical/Mathematical- cum-Historical Perspective

Kier, Lemont B., Basak, Subhash C.

Journal:

Current Computer - Aided Drug Design

Year:

2018

Language:

english

File:

PDF, 221 KB

english, 2018

40

Current Opioid Overdose Crisis: Some Comments on the Chemicobiological Aspects of Tolerance/Dependence and Abuse Based on Computatinal Chemistry and Biology

Basak, Subhash C., Kier, Lemont B.

Journal:

Current Computer - Aided Drug Design

Year:

2018

Language:

english

File:

PDF, 97 KB

english, 2018

41

Aurora borealis: Stochastic cellular automata simulations of the excited-state dynamics of oxygen atoms

Paul G. Seybold, Lemont B. Kier, Chao-Kun Cheng

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 403 KB

english, 1999

42

A systems approach to molecular structure, intermolecular recognition, and emergence-dissolvence in medicinal research

Bernard Testa, Lemont B. Kier, Pierre-Alain Carrupt

Journal:

Medicinal Research Reviews

Year:

1997

Language:

english

File:

PDF, 755 KB

english, 1997

43

What Differentiates Free Amino Acids and Aminoacyl Residues? An Exploration of Conformational and Lipophilicity Spaces

Bernard Testa, Isabelle Raynaud, Lemont B. Kier

Journal:

Helvetica Chimica Acta

Year:

1999

Language:

english

File:

PDF, 91 KB

english, 1999

44

A cellular automata model of chromatography

Lemont B. Kier, Chao-Kun Cheng, H. Thomas Karnes

Journal:

Biomedical Chromatography

Year:

2000

Language:

english

File:

PDF, 140 KB

english, 2000

45

Bioisosterism: Quantitation of Structure and Property Effects

Lemont B. Kier, Lowell H. Hall

Journal:

Chemistry & Biodiversity

Year:

2004

Language:

english

File:

PDF, 125 KB

english, 2004

46

Research Projects at the Center for the Study of Biological Complexity, Virginia Commonwealth University

Lemont B. Kier, Tarynn Witten

Journal:

Chemistry & Biodiversity

Year:

2004

Language:

english

File:

PDF, 35 KB

english, 2004

47

No Title

Joseph R. Votano, Marc Parham, Lowell H. Hall, Lemont B. Kier, L. Mark Hall

Journal:

Chemistry & Biodiversity

Year:

2004

Language:

english

File:

PDF, 191 KB

english, 2004

48

Modeling Biochemical Networks: A Cellular-Automata Approach

Lemont B. Kier, Danail Bonchev, Gregory A. Buck

Journal:

Chemistry & Biodiversity

Year:

2005

Language:

english

File:

PDF, 257 KB

english, 2005

49

Editorial: Looking to the Future: Computational Methods in Drug Design

Neal Castagnoli, Lemont Kier

Journal:

Chemistry & Biodiversity

Year:

2005

Language:

english

File:

PDF, 27 KB

english, 2005

50

Cellular-Automata Models of Solid–Liquid Interfaces

Cho-Kun Cheng, Lemont B. Kier

Journal:

Chemistry & Biodiversity

Year:

2007

Language:

english

File:

PDF, 188 KB

english, 2007

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