| Software and resources for computational medicinal chemistry C Liao, M Sitzmann, A Pugliese, MC Nicklaus Future medicinal chemistry 3 (8), 1057-1085, 2011 | 203 | 2011 |
| QSAR modeling of imbalanced high-throughput screening data in PubChem AV Zakharov, ML Peach, M Sitzmann, MC Nicklaus Journal of chemical information and modeling 54 (3), 705-712, 2014 | 112 | 2014 |
| Tautomerism in large databases M Sitzmann, WD Ihlenfeldt, MC Nicklaus Journal of Computer-Aided Molecular Design 24, 521-551, 2010 | 84 | 2010 |
| PDB ligand conformational energies calculated quantum-mechanically M Sitzmann, IE Weidlich, IV Filippov, C Liao, ML Peach, WD Ihlenfeldt, ... Journal of chemical information and modeling 52 (3), 739-756, 2012 | 69 | 2012 |
| A new approach to radial basis function approximation and its application to QSAR AV Zakharov, ML Peach, M Sitzmann, MC Nicklaus Journal of Chemical Information and Modeling 54 (3), 713-719, 2014 | 57 | 2014 |
| Internet resources integrating many small-molecule databases1 M Sitzmann, IV Filippov, MC Nicklaus SAR and QSAR in Environmental Research 19 (1-2), 1-9, 2008 | 47 | 2008 |
| Computer-assisted synthesis and reaction planning in combinatorial chemistry J Gasteiger, M Pförtner, M Sitzmann, R Höllering, O Sacher, T Kostka, ... Perspectives in Drug Discovery and Design 20, 245-264, 2000 | 46 | 2000 |
| Enumeration of Ring–Chain Tautomers Based on SMIRKS Rules L Guasch, M Sitzmann, MC Nicklaus Journal of Chemical Information and Modeling 54 (9), 2423-2432, 2014 | 43 | 2014 |
| Comparing the chemical structure and protein content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database C Southan, M Sitzmann, S Muresan Molecular informatics 32 (11‐12), 881-897, 2013 | 40 | 2013 |
| Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes AV Zakharov, ML Peach, M Sitzmann, IV Filippov, HJ McCartney, ... Future medicinal chemistry 4 (15), 1933-1944, 2012 | 34 | 2012 |
| Mapping between databases of compounds and protein targets S Muresan, M Sitzmann, C Southan Bioinformatics and drug discovery, 145-164, 2012 | 22 | 2012 |
| CADD Group Chemoinformatics Tools and User Services M Nicklaus, M Sitzmann Computer-Aided Drug Design (CADD) Group of the Chemical Biology Laboratory …, 2010 | 12 | 2010 |
| Computer‐Assisted Synthesis Design by WODCA (CASD) M Pförtner, M Sitzmann Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes, 1457-1507, 2003 | 11 | 2003 |
| Software and resources for computational medicinal chemistry. Future Med Chem. 3 (8): 1057–1085 C Liao, M Sitzmann, A Pugliese, MC Nicklaus | 5 | 2011 |
| Handbook of Chemoinformatics M Pförtner, M Sitzmann, J Gasteiger Handbook of Chemoinformatics: Wiley-VCH, Weinheim, 1457-1507, 2003 | 5 | 2003 |
| NCI/CADD: Open-access chemical structure web platform M Sitzmann, WD Ihlenfeldt, MC Nicklaus ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 239, 2010 | 2 | 2010 |
| Chembience M Sitzmann 10.5281/zenodo.1407222, 2018 | | 2018 |
| NCI/CADD chemical structure Web services M Sitzmann, AV Zakharov, LG Pamies, MC Nicklaus ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Analysis of tautomerism in databases of commercially available compounds L Guasch, M Sitzmann, MC Nicklaus ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| QSAR Modeling of Human Liver Microsomal Stability A Zakharov, ML Peach, M Sitzmann, IV Filippov, MC Nicklaus ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
Megan L. PeachNational Institutes of HealthVerified email at nih.gov
