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Machine learning prioritizes synthesis of primaquine ureidoamides with high antimalarial activity and attenuated cytotoxicity.
Levatic, Jurica; Pavic, Kristina; Perkovic, Ivana; Uzelac, Lidija; Ester, Katja; Kralj, Marijeta; Kaiser, Marcel; Rottmann, Matthias; Supek, Fran; Zorc, Branka.
Afiliação
  • Levatic J; Genome Data Science, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology (BIST), Baldiri Reixac 10, 08028, Barcelona, Spain; Department of Knowledge Technologies, Jozef Stefan Institute, Jamova cesta 39, SI-1000, Ljubljana, Slovenia.
  • Pavic K; Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kovacica 1, HR-10 000 Zagreb, Croatia.
  • Perkovic I; Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kovacica 1, HR-10 000 Zagreb, Croatia.
  • Uzelac L; Laboratory of Experimental Therapy, Division of Molecular Medicine, Rudjer Boskovic Institute, Bijenicka cesta 54, HR-10 000 Zagreb, Croatia.
  • Ester K; Laboratory of Experimental Therapy, Division of Molecular Medicine, Rudjer Boskovic Institute, Bijenicka cesta 54, HR-10 000 Zagreb, Croatia.
  • Kralj M; Laboratory of Experimental Therapy, Division of Molecular Medicine, Rudjer Boskovic Institute, Bijenicka cesta 54, HR-10 000 Zagreb, Croatia.
  • Kaiser M; Parasite Chemotherapy, Medical Parasitology & Infection Biology, Swiss Tropical and Public Health Institute, 4051 Basel, Switzerland.
  • Rottmann M; Parasite Chemotherapy, Medical Parasitology & Infection Biology, Swiss Tropical and Public Health Institute, 4051 Basel, Switzerland.
  • Supek F; Genome Data Science, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology (BIST), Baldiri Reixac 10, 08028, Barcelona, Spain. Electronic address: fran.supek@irbbarcelona.org.
  • Zorc B; Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kovacica 1, HR-10 000 Zagreb, Croatia. Electronic address: bzorc@pharma.hr.
Eur J Med Chem ; 146: 651-667, 2018 Feb 25.
Article em En | MEDLINE | ID: mdl-29407988
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Plasmodium falciparum / Primaquina / Malária Falciparum / Aprendizado de Máquina / Amidas / Antimaláricos / Antineoplásicos Idioma: En Ano de publicação: 2018 Tipo de documento: Article
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Plasmodium falciparum / Primaquina / Malária Falciparum / Aprendizado de Máquina / Amidas / Antimaláricos / Antineoplásicos Idioma: En Ano de publicação: 2018 Tipo de documento: Article