Publications by authors named "Markus Sitzmann"

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Enumeration of ring-chain tautomers based on SMIRKS rules.
Laura Guasch, Markus Sitzmann, Marc C Nicklaus

J Chem Inf Model· September 2014

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A new approach to radial basis function approximation and its application to QSAR.
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, Marc C Nicklaus

J Chem Inf Model· March 2014

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QSAR modeling of imbalanced high-throughput screening data in PubChem.
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, Marc C Nicklaus

J Chem Inf Model· March 2014

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Comparing the Chemical Structure and Protein Content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database.
Christopher Southan, Markus Sitzmann, Sorel Muresan

Mol Inform· December 2013

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Mapping between databases of compounds and protein targets.
Sorel Muresan, Markus Sitzmann, Christopher Southan

Methods Mol Biol· September 2013

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Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes.
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, Igor V Filippov, Heather J McCartney

Future Med Chem· October 2012

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PDB ligand conformational energies calculated quantum-mechanically.
Markus Sitzmann, Iwona E Weidlich, Igor V Filippov, Chenzhong Liao, Megan L Peach

J Chem Inf Model· March 2012

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Software and resources for computational medicinal chemistry.
Chenzhong Liao, Markus Sitzmann, Angelo Pugliese, Marc C Nicklaus

Future Med Chem· June 2011

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Tautomerism in large databases.
Markus Sitzmann, Wolf-Dietrich Ihlenfeldt, Marc C Nicklaus

J Comput Aided Mol Des· June 2010

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