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Academic Journal

Improving the utility of molecular scaffolds for medicinal and computational chemistry.

  • Authors : Bajorath J; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology & Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.

Subjects: Chemistry, Pharmaceutical* ; Computational Biology*; Databases, Chemical

  • Source: Future medicinal chemistry [Future Med Chem] 2018 Jul 01; Vol. 10 (14), pp. 1645-1648. Date of Electronic Publication: 2018 Jun 29.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Active learning for computational chemogenomics.

  • Authors : Reker D; Computer-Assisted Drug Design, Institute of Pharmaceutical Sciences, Department of Chemistry & Applied Biosciences, Swiss Federal Institute of Technology (ETH Zurich), Vladimir-Prelog-Weg 1-5/10, 8093 Zurich, Switzerland.; Koch Institute for Integrative Cancer Research, Massachusetts Institute of Technology, 500 Main St, Cambridge, MA 02139, USA.

Subjects: Machine Learning*; Computational Biology/Computational Biology/Computational Biology/*methods ; Drug Discovery/Drug Discovery/Drug Discovery/*methods

  • Source: Future medicinal chemistry [Future Med Chem] 2017 Mar; Vol. 9 (4), pp. 381-402. Date of Electronic Publication: 2017 Mar 06.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Exploiting open data: a new era in pharmacoinformatics.

  • Authors : Goldmann D; University of Vienna, Department of Pharmaceutical Chemistry, Division of Drug Design & Medicinal Chemistry, Althanstrasse 14, 1090 Vienna, Austria.; Montanari F

Subjects: Computational Biology*; Biological Assay ; Databases, Chemical

  • Source: Future medicinal chemistry [Future Med Chem] 2014 Apr; Vol. 6 (5), pp. 503-14.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print Cited Medium:

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