| QSAR modeling: where have you been? Where are you going to? A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ... Journal of medicinal chemistry 57 (12), 4977-5010, 2014 | 1860 | 2014 |
| Identification of new functional inhibitors of acid sphingomyelinase using a structure− property− activity relation model J Kornhuber, P Tripal, M Reichel, L Terfloth, S Bleich, J Wiltfang, ... Journal of medicinal chemistry 51 (2), 219-237, 2008 | 261 | 2008 |
| Identification of novel functional inhibitors of acid sphingomyelinase J Kornhuber, M Muehlbacher, S Trapp, S Pechmann, A Friedl, M Reichel, ... PloS one 6 (8), e23852, 2011 | 213 | 2011 |
| New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling C Yang, A Tarkhov, J Marusczyk, B Bienfait, J Gasteiger, T Kleinoeder, ... Journal of chemical information and modeling 55 (3), 510-528, 2015 | 179 | 2015 |
| Ligand-based models for the isoform specificity of cytochrome P450 3A4, 2D6, and 2C9 substrates L Terfloth, B Bienfait, J Gasteiger Journal of chemical information and modeling 47 (4), 1688-1701, 2007 | 124 | 2007 |
| Neural networks and genetic algorithms in drug design L Terfloth, J Gasteiger Drug Discovery Today 6, 102-108, 2001 | 113 | 2001 |
| Sesquiterpene lactone-based classification of three Asteraceae tribes: a study based on self-organizing neural networks applied to chemosystematics FB Da Costa, L Terfloth, J Gasteiger Phytochemistry 66 (3), 345-353, 2005 | 92 | 2005 |
| Neural networks as data mining tools in drug design J Gasteiger, A Teckentrup, L Terfloth, S Spycher Journal of physical organic chemistry 16 (4), 232-245, 2003 | 77 | 2003 |
| Development of a structural model for NF-κB inhibition of sesquiterpene lactones using self-organizing neural networks S Wagner, A Hofmann, B Siedle, L Terfloth, I Merfort, J Gasteiger Journal of medicinal chemistry 49 (7), 2241-2252, 2006 | 70 | 2006 |
| Self-organizing maps for identification of new inhibitors of P-glycoprotein D Kaiser, L Terfloth, S Kopp, J Schulz, R de Laet, P Chiba, GF Ecker, ... Journal of medicinal chemistry 50 (7), 1698-1702, 2007 | 69 | 2007 |
| Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates L Michielan, L Terfloth, J Gasteiger, S Moro Journal of chemical information and modeling 49 (11), 2588-2605, 2009 | 65 | 2009 |
| Exploring potency and selectivity receptor antagonist profiles using a multilabel classification approach: the human adenosine receptors as a key study L Michielan, S Federico, L Terfloth, D Hristozov, B Cacciari, KN Klotz, ... Journal of chemical information and modeling 49 (12), 2820-2836, 2009 | 22 | 2009 |
| Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors D Schuster, L Kern, DP Hristozov, L Terfloth, B Bienfait, C Laggner, ... Combinatorial chemistry & high throughput screening 13 (1), 54-66, 2010 | 21 | 2010 |
| Neural networks as valuable tools to differentiate between sesquiterpene lactones’ inhibitory activity on serotonin release and on NF-κB S Wagner, R Arce, R Murillo, L Terfloth, J Gasteiger, I Merfort Journal of medicinal chemistry 51 (5), 1324-1332, 2008 | 18 | 2008 |
| Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors J Kornhuber, L Terfloth, S Bleich, J Wiltfang, R Rupprecht European journal of medicinal chemistry 44 (6), 2667-2672, 2009 | 14 | 2009 |
| 10 Calculation of Structure Descriptors L Terfloth, J Gasteiger Chemoinformatics: Basic Concepts and Methods, 349, 2018 | 8 | 2018 |
| Synthesis and in vitro cytotoxic activity of novel hexahydro-2H-pyrido [1, 2-b] isoquinolines against human brain tumor cell lines A Monsees, S Laschat, M Hotfilder, J Wolff, K Bergander, L Terfloth, ... Bioorganic & Medicinal Chemistry Letters 7 (23), 2945-2950, 1997 | 8 | 1997 |
| Electronic screening: lead finding from database mining L Terfloth, J Gasteiger The Practice of Medicinal Chemistry, 131-145, 2003 | 7 | 2003 |
| A brief history of drugs: from plant extracts to DNA technology F Chast Pract Med Chem 1, 3-28, 2008 | 6 | 2008 |
| Drug Discovery: An Overview L Terfloth, S Spycher, J Gasteiger Applied Chemoinformatics: Achievements and Future Opportunities 1, 2018 | 5 | 2018 |
Johannes KornhuberProfessor for Psychiatry, University of ErlangenVerified email at uk-erlangen.de
