Egon Willighagen

Egon Willighagen

Dr.

 https://orcid.org/0000-0001-7542-0286

Accepting PhD Students

20002024

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(Systematic) Review article

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  • 2006

    Molecular chemometrics

    Willighagen, E. L., Wehrens, R. & Buydens, L. M. C., 2006, In: Critical Reviews in Analytical Chemistry. 36, 3-4, p. 189-198 10 p.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

  • Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics

    Steinbeck, C., Hoppe, C., Kuhn, S., Floris, M., Guha, R. & Willighagen, EL., 2006, In: Current Pharmaceutical Design. 12, 17, p. 2111-2120 10 p.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

  • 2019

    The metaRbolomics Toolbox in Bioconductor and beyond

    Stanstrup, J., Broeckling, C. D., Helmus, R., Hoffmann, N., Mathe, E., Naake, T., Nicolotti, L., Peters, K., Rainer, J., Salek, R. M., Schulze, T., Schymanski, E. L., Stravs, M. A., Thevenot, E. A., Treutler, H., Weber, R. J. M., Willighagen, E., Witting, M. & Neumann, S., Oct 2019, In: Metabolites. 9, 10, 55 p., 200.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

    Open Access
  • 2020

    NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

    Afantitis, A., Melagraki, G., Isigonis, P., Tsoumanis, A., Varsou, D. D., Valsami-jones, E., Papadiamantis, A., Ellis, L. A., Sarimveis, H., Doganis, P., Karatzas, P., Tsiros, P., Liampa, I., Lobaskin, V., Greco, D., Serra, A., Kinaret, P. A. S., Saarimäki, L. A., Grafström, R., Kohonen, P., & 33 othersNymark, P., Willighagen, E., Puzyn, T., Rybinska-fryca, A., Lyubartsev, A., Alstrup Jensen, K., Brandenburg, J. G., Lofts, S., Svendsen, C., Harrison, S., Maier, D., Tamm, K., Jänes, J., Sikk, L., Dusinska, M., Longhin, E., Rundén-pran, E., Mariussen, E., El Yamani, N., Unger, W., Radnik, J., Tropsha, A., Cohen, Y., Leszczynski, J., Ogilvie Hendren, C., Wiesner, M., Winkler, D., Suzuki, N., Yoon, T. H., Choi, J., Sanabria, N., Gulumian, M. & Lynch, I., 7 Mar 2020, In: Computational and Structural Biotechnology Journal. 18, p. 583-602 20 p.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

    Open Access

  • Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials

    Isigonis, P., Afantitis, A., Antunes, D., Bartonova, A., Beitollahi, A., Bohmer, N., Bouman, E., Chaudhry, Q., Cimpan, M. R., Cimpan, E., Doak, S., Dupin, D., Fedrigo, D., Fessard, V., Gromelski, M., Gutleb, A. C., Halappanavar, S., Hoet, P., Jeliazkova, N., Jomini, S., & 25 othersLindner, S., Linkov, I., Longhin, E. M., Lynch, I., Malsch, I., Marcomini, A., Mariussen, E., de la Fuente, J. M., Melagraki, G., Murphy, F., Neaves, M., Packroff, R., Pfuhler, S., Puzyn, T., Rahman, Q., Pran, E. R., Semenzin, E., Serchi, T., Steinbach, C., Trump, B., Vrcek, I. V., Warheit, D., Wiesner, M. R., Willighagen, E. & Dusinska, M., 10 Sept 2020, In: Small. 16, 36, 12 p., 2003303.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

    Open Access
  • 2021

    Interpreting the lipidome: bioinformatic approaches to embrace the complexity

    Kyle, J. E., Aimo, L., Bridge, A. J., Clair, G., Fedorova, M., Helms, J. B., Molenaar, M. R., Ni, Z. X., Oresic, M., Slenter, D., Willighagen, E. & Webb-Robertson, B. J. M., 1 Jun 2021, In: Metabolomics. 17, 6, 10 p., 55.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

  • 2023

    Artificial intelligence for natural product drug discovery

    Mullowney, M. W., Duncan, K. R., Elsayed, S. S., Garg, N., van der Hooft, J. J. J., Martin, N. I., Meijer, D., Terlouw, B. R., Biermann, F., Blin, K., Durairaj, J., Gorostiola González, M., Helfrich, E. J. N., Huber, F., Leopold-Messer, S., Rajan, K., de Rond, T., van Santen, J. A., Sorokina, M., Balunas, M. J., & 32 othersBeniddir, M. A., van Bergeijk, D. A., Carroll, L. M., Clark, C. M., Clevert, D. A., Dejong, C. A., Du, C., Ferrinho, S., Grisoni, F., Hofstetter, A., Jespers, W., Kalinina, O. V., Kautsar, S. A., Kim, H., Leao, T. F., Masschelein, J., Rees, E. R., Reher, R., Reker, D., Schwaller, P., Segler, M., Skinnider, M. A., Walker, A. S., Willighagen, E. L., Zdrazil, B., Ziemert, N., Goss, R. J. M., Guyomard, P., Volkamer, A., Gerwick, W. H., Et al. & van Westen, G. J. P., Nov 2023, In: Nature Reviews Drug Discovery. 22, 11, p. 895–916 22 p.

    Research output: Contribution to journal › (Systematic) Review article › peer-review

    Open Access
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  • 2024

    A template wizard for the cocreation of machine-readable data-reporting to harmonize the evaluation of (nano)materials

    Jeliazkova, N., Longhin, E., El yamani, N., Rundén-Pran, E., Moschini, E., Serchi, T., Vrček, I. V., Burgum, M. J., Doak, S. H., Cimpan, M. R., Rios-Mondragon, I., Cimpan, E., Battistelli, C. L., Bossa, C., Tsekovska, R., Drobne, D., Novak, S., Repar, N., Ammar, A., Nymark, P., & 18 othersDi battista, V., Sosnowska, A., Puzyn, T., Kochev, N., Iliev, L., Jeliazkov, V., Reilly, K., Lynch, I., Bakker, M., Delpivo, C., Sánchez jiménez, A., Fonseca, A. S., Manier, N., Fernandez-Cruz, M. L., Rashid, S., Willighagen, E., D apostolova, M. & Dusinska, M., 16 May 2024, (E-pub ahead of print) In: Nature Protocols.

    Research output: Contribution to journal › (Systematic) Review article › peer-review