Paul Selzer
Paul Selzer
Senior Investigator, Novartis Institutes for BioMedical Research
Verified email at novartis.com
Title
Cited by
Cited by
Year
Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
P Ertl, B Rohde, P Selzer
Journal of medicinal chemistry 43 (20), 3714-3717, 2000
24832000
The coding of the three-dimensional structure of molecules by molecular transforms and its application to structure-spectra correlations and studies of biological activity
JH Schuur, P Selzer, J Gasteiger
Journal of Chemical Information and Computer Sciences 36 (2), 334-344, 1996
3941996
Chemical information in 3D space
J Gasteiger, J Sadowski, J Schuur, P Selzer, L Steinhauer, V Steinhauer
Journal of Chemical Information and Computer Sciences 36 (5), 1030-1037, 1996
2481996
Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds
P Ertl, S Jelfs, J Mühlbacher, A Schuffenhauer, P Selzer
Journal of medicinal chemistry 49 (15), 4568-4573, 2006
2212006
Library design for fragment based screening
A Schuffenhauer, S Ruedisser, A Marzinzik, W Jahnke, P Selzer, ...
Current topics in medicinal chemistry 5 (8), 751-762, 2005
2092005
Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors
S Jelfs, P Ertl, P Selzer
Journal of chemical information and modeling 47 (2), 450-459, 2007
892007
Relationships between molecular complexity, biological activity, and structural diversity
A Schuffenhauer, N Brown, P Selzer, P Ertl, E Jacoby
Journal of chemical information and modeling 46 (2), 525-535, 2006
872006
Complex molecules: do they add value?
P Selzer, HJ Roth, P Ertl, A Schuffenhauer
Current opinion in chemical biology 9 (3), 310-316, 2005
672005
Finding the 3D structure of a molecule in its IR spectrum
J Gasteiger, J Schuur, P Selzer, L Steinhauer, V Steinhauer
Fresenius' journal of analytical chemistry 359 (1), 50-55, 1997
591997
Biodiversity of small molecules–a new perspective in screening set selection
PM Petrone, AM Wassermann, E Lounkine, P Kutchukian, B Simms, ...
Drug discovery today 18 (13-14), 674-680, 2013
562013
How phenotypic screening influenced drug discovery: lessons from five years of practice
D Haasen, U Schopfer, C Antczak, C Guy, F Fuchs, P Selzer
Assay and drug development technologies 15 (6), 239-246, 2017
542017
Linking phenotypes and modes of action through high-content screen fingerprints
F Reisen, A Sauty De Chalon, M Pfeifer, X Zhang, D Gabriel, P Selzer
Assay and drug development technologies 13 (7), 415-427, 2015
522015
Clustering and rule-based classifications of chemical structures evaluated in the biological activity space
A Schuffenhauer, N Brown, P Ertl, JL Jenkins, P Selzer, J Hamon
Journal of chemical information and modeling 47 (2), 325-336, 2007
512007
Web-based cheminformatics tools deployed via corporate Intranets
P Ertl, P Selzer, J Mühlbacher
Drug Discovery Today: BIOSILICO 2 (5), 201-207, 2004
482004
Benchmarking of multivariate similarity measures for high-content screening fingerprints in phenotypic drug discovery
F Reisen, X Zhang, D Gabriel, P Selzer
Journal of biomolecular screening 18 (10), 1284-1297, 2013
332013
Web-based cheminformatics and molecular property prediction tools supporting drug design and development at Novartis
P Ertl, J Muehlbacher, B Rohde, P Selzer
SAR and QSAR in Environmental Research 14 (5-6), 321-328, 2003
332003
Rapid access to infrared reference spectra of arbitrary organic compounds: scope and limitations of an approach to the simulation of infrared spectra by neural networks
P Selzer, J Gasteiger, H Thomas, R Salzer
Chemistry–A European Journal 6 (5), 920-927, 2000
332000
Applications of self-organizing neural networks in virtual screening and diversity selection
P Selzer, P Ertl
Journal of chemical information and modeling 46 (6), 2319-2323, 2006
322006
Comparison of multivariate data analysis strategies for high-content screening
A Kuemmel, P Selzer, M Beibel, H Gubler, CN Parker, D Gabriel
Journal of biomolecular screening 16 (3), 338-347, 2011
292011
Differentiation and visualization of diverse cellular phenotypic responses in primary high-content screening
A Kümmel, P Selzer, D Siebert, I Schmidt, J Reinhardt, M Götte, ...
Journal of biomolecular screening 17 (6), 843-849, 2012
212012
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Articles 1–20