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216

Visualization of big high dimensional data in a three dimensional space

Xie, Y., Chenna, P., Le, L. & He, J., 0216, The 3rd IEEE/ACM International Conference on Big Data Computing, Applications and Technologies.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 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

1988
1 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

2541 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

LAOCOON PC: NMR simulation on a personal computer

Clark, M. & Thrasher, J. S., Dec 1 1990, In : Journal of Chemical Education. 67, 3, p. 235-236 2 p.

Research output: Contribution to journalReview article

17 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
2002

A conversation with Eugene Kennedy

Gracy, K. N., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 294, 3, p. 519-520 2 p.

Research output: Contribution to journalArticle

A conversation with Frank Westheimer

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 296, 1, p. 5-7 3 p.

Research output: Contribution to journalEditorial

A conversation with John E. Walker

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 298, 1, p. 1-4 4 p.

Research output: Contribution to journalArticle

A conversation with Thomas D. Pollard

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 297, 1, p. 6-9 4 p.

Research output: Contribution to journalArticle

A conversation with Wan Kyoo Cho

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 297, 5, p. 1071-1074 4 p.

Research output: Contribution to journalArticle

2003

A conversation with Saul Roseman

Gracy, K. N., Jan 1 2003, In : Biochemical and Biophysical Research Communications. 300, 1, p. 5-8 4 p.

Research output: Contribution to journalArticle

3 Scopus citations
2004

A topic-based browser for large online resources

Stuckenschmidt, H., De Waard, A., Bhogal, R., Fluit, C., Kampman, A., Van Buel, J., Van Mulligen, E., Broekstra, J., Crowlesmith, I., Van Harmelen, P. & Scerri, T., Dec 1 2004, In : Lecture Notes in Artificial Intelligence (Subseries of Lecture Notes in Computer Science). 3257, p. 433-448 16 p.

Research output: Contribution to journalConference article

6 Scopus citations

Exploring Large Document Repositories with RDF Technology: The DOPE Project

Stuckenschmidt, H., Van Harmelen, F., De Waard, A., Tony, S., Bhogal, R., Van Buel, J., Crowlesmith, I., Fluit, C., Kampman, A., Broekstra, J. & Van Mulligen, E., Jan 1 2004, In : IEEE Intelligent Systems. 19, 3, p. 34-40 7 p.

Research output: Contribution to journalArticle

37 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
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

The ABCDE format enabling semantic conference proceedings

De Waard, A. & Tel, G., Dec 1 2006, In : CEUR Workshop Proceedings. 206, p. 97-108 12 p.

Research output: Contribution to journalConference article

2007

A pragmatic structure for research articles

De Waard, A., Dec 1 2007, Proceedings of the 2nd International Conference on the Pragmatic Web: "Building Common Ground on the Web", ICPW '07. p. 83-89 7 p. (ACM International Conference Proceeding Series; vol. 280).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Scopus citations

Use Case: Drug Ontology Project for Elsevier (DOPE)

de Waard, A., van Harmelen, F. & Fluit, C., Jul 2007

Research output: Other contribution

2008

Modeling scientific research articles - Shifting perspectives and persistent issues

De Waard, A. & Kircz, J., Dec 1 2008, Open Scholarship: Authority, Community, and Sustainability in the Age of Web 2.0 - Proceedings of the 12th International Conference on Electronic Publishing, ELPUB 2008. p. 234-245 12 p. (Open Scholarship: Authority, Community, and Sustainability in the Age of Web 2.0 - Proceedings of the 12th International Conference on Electronic Publishing, ELPUB 2008).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

10 Scopus citations
2009
7 Scopus citations

A short survey of discourse representation models

Groza, T., Handschuh, S., Clark, T., Shum, S. B. & De Waard, A., Dec 1 2009, In : CEUR Workshop Proceedings. 523

Research output: Contribution to journalConference article

1 Scopus citations

Developing technologies in biodefense research: Computational drug design

Clark, M., Meshkat, S., Talbot, G., Konteatis, Z., Ludington, J., Zou, J., Freedman, S. J. & Wiseman, J. S., Jun 1 2009, In : Drug Development Research. 70, 4, p. 279-287 9 p.

Research output: Contribution to journalReview article

3 Scopus citations

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

Hypotheses, evidence and relationships: The HypER approach for representing scientific knowledge claims

De Waard, A., Shum, S. B., Carusi, A., Park, J., Samwald, M. & Sándor, Á., Dec 1 2009, In : CEUR Workshop Proceedings. 523

Research output: Contribution to journalConference article

2 Scopus citations

XQuery in the browser

Fourny, G., Pilman, M., Florescu, D., Kossmann, D., Kraska, T. & McBeath, D., Dec 1 2009, WWW'09 - Proceedings of the 18th International World Wide Web Conference. p. 1011-1020 10 p. (WWW'09 - Proceedings of the 18th International World Wide Web Conference).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Scopus citations
2010

From proteins to fairytales: Directions in semantic publishing

De Waard, A., Jul 26 2010, In : IEEE Intelligent Systems. 25, 2, p. 83-88 6 p., 5456415.

Research output: Contribution to journalArticle

22 Scopus citations

SJR and SNIP: two new journal metrics in Elsevier's Scopus

Colledge, L., De Moya-Anegón, F., Guerrero-Bote, V., López-Illescas, C., El Aisati, M. & Moed, H. F., Nov 1 2010, In : Serials. 23, 3, p. 215-221 7 p.

Research output: Contribution to journalArticle

Open Access
41 Scopus citations

The future of the journal? Integrating research data with scientific discourse

De Waard, A., Jan 1 2010, In : Logos (Netherlands). 21, 1-2, p. 7-11 5 p.

Research output: Contribution to journalReview article

1 Scopus citations
2011

Preface

De Waard, A., Castro, A. G., Lange, C. & Sandhaus, E., Jan 1 2011, In : CEUR Workshop Proceedings. 721, p. iii

Research output: Contribution to journalEditorial

2012

Annotating evidence based clinical guidelines: A lightweight ontology

Hoekstra, R., De Waard, A. & Vdovjak, R., Jan 1 2012, In : CEUR Workshop Proceedings. 952

Research output: Contribution to journalConference article

2 Scopus citations

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

Connecting closed world research information systems through the linked open data web

Joerg, B., Ruiz-Rube, I., Sicilia, M. A., Dvoák, J., Jeffery, K., Hoellrigl, T., Rasmussen, H. S., Engfer, A., Vestdam, T. & Barriocanal, E. G., May 1 2012, In : International Journal of Software Engineering and Knowledge Engineering. 22, 3, p. 345-364 20 p.

Research output: Contribution to journalArticle

19 Scopus citations

Formalising uncertainty: An ontology of reasoning, certainty and attribution (ORCA)

De Waard, A. & Schneider, J., Jan 1 2012, In : CEUR Workshop Proceedings. 930, p. 8-15 8 p.

Research output: Contribution to journalConference article

Improving future research communication and e-scholarship: A summary of findings

Bourne, P. E., Clark, T., Dale, R., De Waard, A., Hermane, I., Hovyf, E. & Shottong, D., Feb 1 2012, In : Informatik-Spektrum. 35, 1, p. 56-58 3 p.

Research output: Contribution to journalArticle

1 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

Productivity and impact of the top 100 cited Huntington's disease investigators

Sorensen, A. A., El Aisati, MH. & Weedon, D., 2012, In : Journal of Huntington's disease. 1, 1, p. 3-10 8 p.

Research output: Contribution to journalArticle

1 Scopus citations

Project Snowball - Sharing data for cross-institutional benchmarking

Colledge, L., Clements, A., Aisati, MH. E. & Rutherford, S., Jan 1 2012, p. 253-260. 8 p.

Research output: Contribution to conferencePaper

2 Scopus citations

Verb form indicates discourse segment type in biological research papers: Experimental evidence

de Waard, A. & Pander Maat, H., Dec 1 2012, In : Journal of English for Academic Purposes. 11, 4, p. 357-366 10 p.

Research output: Contribution to journalArticle

11 Scopus citations
2013

Creating an Urban Legend: A System for Electrophysiology Data Management and Exploration

De Waard, A., Alder, J., Burton, S. D., Gerkin, R. C., Harviston, M., Marques, D., Tripathy, S. J. & Urban, N. N., Jan 1 2013, Discovery Informatics: AI Takes a Science-Centered View on Big Data - Papers from the AAAI Fall Symposium, Technical Report. AI Access Foundation, p. 23-27 5 p. (AAAI Fall Symposium - Technical Report; vol. FS-13-01).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Dynamic enhancement of drug product labels to support drug safety, efficacy, and effectiveness

Boyce, R. D., Horn, J. R., Hassanzadeh, O., Waard, A. D., Schneider, J., Luciano, J. S., Rastegar-Mojarad, M. & Liakata, M., Jan 26 2013, In : Journal of Biomedical Semantics. 4, 1, 5.

Research output: Contribution to journalArticle

Open Access
12 Scopus citations