Capecchi, Alice

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Capecchi, Alice; Reymond, Jean-Louis (2020). Assigning the Origin of Microbial Natural Products by Chemical Space Map and Machine Learning. Biomolecules, 10(10), p. 1385. MDPI 10.3390/biom10101385

Capecchi, Alice; Probst, Daniel; Reymond, Jean-Louis (2020). One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome. Journal of cheminformatics, 12(1) Springer 10.1186/s13321-020-00445-4

Capecchi, Alice; Zhang, Alain; Reymond, Jean-Louis (2020). Populating Chemical Space with Peptides Using a Genetic Algorithm. Journal of chemical information and modeling, 60(1), pp. 121-132. American Chemical Society 10.1021/acs.jcim.9b01014

Capecchi, Alice; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2019). PubChem and ChEMBL beyond Lipinski. Molecular informatics, 38(5), p. 1900016. Wiley 10.1002/minf.201900016

Capecchi, Alice; Reymond, Jean-Louis (2019). Peptide chemical space (Unpublished). In: SCS fall meeting 2019.

Siriwardena, Thissa N.; Capecchi, Alice; Gan, Bee-Ha; Jin, Xian; He, Runze; Wei, Dengwen; Ma, Lan; Köhler, Thilo; van Delden, Christian; Javor, Sacha; Reymond, Jean-Louis (2018). Optimizing Antimicrobial Peptide Dendrimers in Chemical Space. Angewandte Chemie (International ed.), 57(28), pp. 8483-8487. Wiley-VCH 10.1002/anie.201802837

Di Bonaventura, Ivan; Baeriswyl, Stéphane; Capecchi, Alice; Gan, Bee-Ha; Jin, Xian; Siriwardena, Thissa N.; He, Runze; Köhler, Thilo; Pompilio, Arianna; Di Bonaventura, Giovanni; van Delden, Christian; Javor, Sacha; Reymond, Jean-Louis (2018). An antimicrobial bicyclic peptide from chemical space against multidrug resistant Gram-negative bacteria. Chemical communications, 54(40), pp. 5130-5133. Royal Society of Chemistry 10.1039/C8CC02412J

Capecchi, Alice; Awale, Mahendra; Probst, Daniel; Reymond, Jean-Louis (2018). Beyond Lipinski – an analysis of the PubChem chemical space (Unpublished). In: Summer School on Machine Learning in Drug Design. Leuven, Belgium. Monday, August 20, 2018 - to Wednesday, August 22, 2018.

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