Maciej Haranczyk

Summary

Affiliation: Lawrence Berkeley National Laboratory
Country: USA

Publications

  1. doi request reprint Combinatorial × computational × cheminformatics (C3) approach to characterization of congeneric libraries of organic pollutants
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 50F 1650, Berkeley, California 94720 8139, USA
    J Chem Inf Model 52:2902-9. 2012
  2. pmc Combinatorial-computational-chemoinformatics (C3) approach to finding and analyzing low-energy tautomers
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 50F 1650, Berkeley, CA 94720, USA
    J Comput Aided Mol Des 24:627-38. 2010
  3. doi request reprint On enumeration of congeners of common persistent organic pollutants
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, CA 94720 8139, USA
    Environ Pollut 158:2786-9. 2010

Collaborators

Detail Information

Publications3

  1. doi request reprint Combinatorial × computational × cheminformatics (C3) approach to characterization of congeneric libraries of organic pollutants
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 50F 1650, Berkeley, California 94720 8139, USA
    J Chem Inf Model 52:2902-9. 2012
    ..Thus, the C(3) approach may serve as a tool for exploring structural applicability domains of the existing QSPR models for congeneric sets...
  2. pmc Combinatorial-computational-chemoinformatics (C3) approach to finding and analyzing low-energy tautomers
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 50F 1650, Berkeley, CA 94720, USA
    J Comput Aided Mol Des 24:627-38. 2010
    ..It can serve as an example how to identify the most stable tautomers of molecular systems for which common chemical knowledge had not been sufficient to make definite predictions...
  3. doi request reprint On enumeration of congeners of common persistent organic pollutants
    Maciej Haranczyk
    Computational Research Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, CA 94720 8139, USA
    Environ Pollut 158:2786-9. 2010
    ....