• Source: Scopus
20142022

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Personal profile

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 12 - Responsible Consumption and Production

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  • Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models

    Moret, M., Grisoni, F., Katzberger, P. & Schneider, G., 14 Mar 2022, In: Journal of Chemical Information and Modeling. 62, 5, p. 1199-1206 8 p.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
    1 Citation (Scopus)
    7 Downloads (Pure)
  • Predicting molecular activity on nuclear receptors by multitask neural networks

    Valsecchi, C., Collarile, M., Grisoni, F., Todeschini, R., Ballabio, D. & Consonni, V., Feb 2022, In: Journal of Chemometrics. 36, 2, 18 p., e3325.

    Research output: Contribution to journalArticleAcademicpeer-review

    1 Citation (Scopus)
  • Artificial intelligence in drug discovery: recent advances and future perspectives

    Jiménez-Luna, J., Grisoni, F., Weskamp, N. & Schneider, G., Sep 2021, In: Expert Opinion on Drug Discovery. 16, 9, p. 949-959 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
    20 Citations (Scopus)
    87 Downloads (Pure)
  • Beam Search for Automated Design and Scoring of Novel ROR Ligands with Machine Intelligence**

    Moret, M., Helmstädter, M., Grisoni, F., Schneider, G. & Merk, D., 23 Aug 2021, In: Angewandte Chemie - International Edition. 60, 35, p. 19477-19482 6 p.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    File
    7 Citations (Scopus)
    11 Downloads (Pure)
  • CATMoS: Collaborative Acute Toxicity Modeling Suite

    Mansouri, K., Karmaus, A. L., Fitzpatrick, J., Patlewicz, G., Pradeep, P., Alberga, D., Alepee, N., Allen, T. E. H., Allen, D., Alves, V. M., Andrade, C. H., Auernhammer, T. R., Ballabio, D., Bell, S., Benfenati, E., Bhattacharya, S., Bastos, J. V., Boyd, S., Brown, J. B., Capuzzi, S. J. & 82 others, Chushak, Y., Ciallella, H., Clark, A. M., Consonni, V., Daga, P. R., Ekins, S., Farag, S., Fedorov, M., Fourches, D., Gadaleta, D., Gao, F., Gearhart, J. M., Goh, G., Goodman, J. M., Grisoni, F., Grulke, C. M., Hartung, T., Hirn, M., Karpov, P., Korotcov, A., Lavado, G. J., Lawless, M., Li, X., Luechtefeld, T., Lunghini, F., Mangiatordi, G. F., Marcou, G., Marsh, D., Martin, T., Mauri, A., Muratov, E. N., Myatt, G. J., Nguyen, D-T., Nicolotti, O., Note, R., Pande, P., Parks, A. K., Peryea, T., Polash, A. H., Rallo, R., Roncaglioni, A., Rowlands, C., Ruiz, P., Russo, D. P., Sayed, A., Sayre, R., Sheils, T., Siegel, C., Silva, A. C., Simeonov, A., Sosnin, S., Southall, N., Strickland, J., Tang, Y., Teppen, B., Tetko, I. V., Thomas, D., Tkachenko, V., Todeschini, R., Toma, C., Tripodi, I., Trisciuzzi, D., Tropsha, A., Varnek, A., Vukovic, K., Wang, Z., Wang, L., Waters, K. M., Wedlake, A. J., Wijeyesakere, S. J., Wilson, D., Xiao, Z., Yang, H., Zahoranszky-Kohalmi, G., Zakharov, A. V., Zhang, F. F., Zhang, Z., Zhao, T., Zhu, H., Zorn, K. M., Casey, W. & Kleinstreuer, N. C., Apr 2021, In: Environmental Health Perspectives. 129, 4, 18 p., 47013.

    Research output: Contribution to journalArticleAcademicpeer-review

    Open Access
    9 Citations (Scopus)