• 3516 Citations
1987 …2019

Research output per year

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Research Output

  • 3516 Citations
  • 22 Article
  • 2 Review article
  • 1 Short survey
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Article
2018

A big data approach to the concordance of the toxicity of pharmaceuticals in animals and humans

Clark, M. & Steger-Hartmann, T., Jul 1 2018, In : Regulatory Toxicology and Pharmacology. 96, p. 94-105 12 p.

Research output: Contribution to journalArticle

Open Access
36 Scopus citations

Translatability of the S7A core battery respiratory safety pharmacology studies: Preclinical respiratory and related clinical adverse events

Paglialunga, S., Morimoto, B. H., Clark, M. & Friedrichs, G. S., Sep 1 2018, In : Journal of Pharmacological and Toxicological Methods. 99, 106596.

Research output: Contribution to journalArticle

2 Scopus citations
2015

Prediction of clinical risks by analysis of preclinical and clinical adverse events

Clark, M., Apr 1 2015, In : Journal of Biomedical Informatics. 54, p. 167-173 7 p.

Research output: Contribution to journalArticle

Open Access
12 Scopus citations
2014

Pharmacologic stimulation of Cytochrome P450 46A1 and Cerebral Cholesterol Turnover in Mice

Mast, N., Li, Y., Linger, M., Clark, M., Wiseman, J. & Pikuleva, I. A., Feb 7 2014, In : Journal of Biological Chemistry. 289, 6, p. 3529-3538 10 p.

Research output: Contribution to journalArticle

Open Access
36 Scopus citations
2012

Application of data mining and visualization techniques for the prediction of drug-induced nausea in man

Parkinson, J., Muthas, D., Clark, M., Boyer, S., Valentin, J. P. & Ewart, L., Mar 13 2012, In : Toxicological Sciences. 126, 1, p. 275-284 10 p.

Research output: Contribution to journalArticle

Open Access
18 Scopus citations

In silico and intuitive predictions of CYP46A1 inhibition by marketed drugs with subsequent enzyme crystallization in complex with fluvoxamine

Mast, N., Linger, M., Clark, M., Wiseman, J., Stout, C. D. & Pikuleva, I. A., Nov 1 2012, In : Molecular Pharmacology. 82, 5, p. 824-834 11 p.

Research output: Contribution to journalArticle

22 Scopus citations
2009

Fragment-based computation of binding free energies by systematic sampling

Clark, M., Meshkat, S., Talbot, G. T., Carnevali, P. & Wiseman, J. S., Aug 24 2009, In : Journal of Chemical Information and Modeling. 49, 8, p. 1901-1913 13 p.

Research output: Contribution to journalArticle

30 Scopus citations

Fragment-based prediction of the clinical occurrence of long qt syndrome and torsade de pointes

Clark, M. & Wiseman, J. S., Nov 23 2009, In : Journal of Chemical Information and Modeling. 49, 11, p. 2617-2626 10 p.

Research output: Contribution to journalArticle

10 Scopus citations

Grand canonical free-energy calculations of protein - Ligand binding

Clark, M., Meshkat, S. & Wiseman, J. S., Apr 27 2009, In : Journal of Chemical Information and Modeling. 49, 4, p. 934-943 10 p.

Research output: Contribution to journalArticle

23 Scopus citations
2006

Development and evaluation of an in silico model for hERG binding

Song, M. & Clark, M., Jan 1 2006, In : Journal of Chemical Information and Modeling. 46, 1, p. 392-400 9 p.

Research output: Contribution to journalArticle

102 Scopus citations

Grand canonical Monte Carlo simulation of ligand - Protein binding

Clark, M., Guarnieri, F., Shkurko, I. & Wiseman, J., Jan 1 2006, In : Journal of Chemical Information and Modeling. 46, 1, p. 231-242 12 p.

Research output: Contribution to journalArticle

80 Scopus citations
2005

Generalized fragment-substructure based property prediction method

Clark, M., Jan 1 2005, In : Journal of Chemical Information and Modeling. 45, 1, p. 30-38 9 p.

Research output: Contribution to journalArticle

56 Scopus citations
1993
5 Scopus citations

The Probability of Chance Correlation Using Partial Least Squares (PLS)

Clark, M. & Cramer, R. D., Jan 1 1993, In : Quantitative Structure‐Activity Relationships. 12, 2, p. 137-145 9 p.

Research output: Contribution to journalArticle

286 Scopus citations
1990

Comparative molecular field analysis (CoMFA). 2. Toward its use with 3D-structural databases

Clark, M., Cramer, R. D., Jones, D. M., Patterson, D. E. & Simeroth, P. E., Jan 1 1990, In : Tetrahedron Computer Methodology. 3, 1, p. 47-59 13 p.

Research output: Contribution to journalArticle

215 Scopus citations
1989

Validation of the general purpose tripos 5.2 force field

Clark, M., Cramer, R. D. & Van Opdenbosch, N., Jan 1 1989, In : Journal of Computational Chemistry. 10, 8, p. 982-1012 31 p.

Research output: Contribution to journalArticle

2549 Scopus citations
1988
1 Scopus citations
1987

An ab initio study of the possible isomers and conformations of N-(trifluoromethyl)fluoro methanimine, CF3NCHF

Clark, M. & Thrasher, J. S., Jan 1 1987, In : Journal of Molecular Structure: THEOCHEM. 153, 1-2, p. 67-74 8 p.

Research output: Contribution to journalArticle

1 Scopus citations

Crystal and molecular structure of S-methyl(pentafluorosulfanyl)thiocarbamate

Bott, S. G., Clark, M., Thrasher, J. S. & Atwood, J. L., Apr 1 1987, In : Journal of Crystallographic and Spectroscopic Research. 17, 2, p. 187-196 10 p.

Research output: Contribution to journalArticle

3 Scopus citations

Hydrogen bonding and cation radical formation of methyl 4-(N,N-dimethylamino)phenyl carbamate, DMAPCMe

Laidlaw, R. K., Miura, Y., Grant, J. L., Cooray, L., Clark, M., Kispert, L. D. & Metzger, R. M., Jan 1 1987, In : The Journal of Chemical Physics. 87, 8, p. 4967-4971 5 p.

Research output: Contribution to journalArticle

9 Scopus citations

Imidotetrafluorosulfur derivatives - synthesis, stereochemical rigidity and Ab initio results

Clark, M., Nielsen, J. B., Mauerman, A. A. & Thrasher, J. S., Jan 1 1987, In : Journal of Fluorine Chemistry. 35, 1, 1 p.

Research output: Contribution to journalArticle

New amines and hydrazines with pentafluorochalcogen substituents

Nielsen, J. B., Clark, M., Mauerman, A. A. & Thrasher, J. S., Jan 1 1987, In : Journal of Fluorine Chemistry. 35, 1, 1 p.

Research output: Contribution to journalArticle