Bernhard Rohde
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
24812000
QSAR− how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets
P Gedeck, B Rohde, C Bartels
Journal of chemical information and modeling 46 (5), 1924-1936, 2006
1312006
IR‐, UV‐und ESR‐Spektrum des Allylradikals in einer Argon‐Matrix
G Maier, HP Reisenauer, B Rohde, K Dehnicke
Chemische Berichte 116 (2), 732-740, 1983
1311983
Enantiomer‐differentiation induced by an enantiomeric excess during chromatography with achiral phases
WL Tsai, K Hermann, E Hug, B Rohde, AS Dreiding
Helvetica chimica acta 68 (8), 2238-2243, 1985
1191985
Continuous similarity measure between nonoverlapping X‐ray powder diagrams of different crystal modifications
HR Karfunkel, B Rohde, FJJ Leusen, RJ Gdanitz, G Rihs
Journal of computational chemistry 14 (10), 1125-1135, 1993
621993
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
The molecule cloud-compact visualization of large collections of molecules
P Ertl, B Rohde
Journal of cheminformatics 4 (1), 1-8, 2012
312012
New leads by selective screening of compounds from large databases
A Gobbi, D Poppinger, B Rohde
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 213, 67-CINF, 1997
131997
Definition of an optimal subset of organic substituents. Interactive visual comparison of various selection algorithms
U Eichler, P Ertl, A Gobbi, B Rohde
Internet Journal of Chemistry 2 (14), 1099-8292, 1999
91999
Developing an in-house system to support combinatorial chemistry
A Gobbi, D Poppinger, B Rohde
Perspectives in drug discovery and design 7 (1), 131-158, 1996
91996
Combinatorial approaches to inhibitors of VLA-4: Piperazine-peptoid-bisarylureas
I Lewis, B Rohde, M Mengus, M Weetall, S Maida, R Hugo, P Lake
Molecular diversity 5 (2), 61-73, 2000
62000
Reaction type informetrics of chemical reaction databases: how'large'is chemistry?
B Rohde
Special Publications of the Royal Society of Chemistry 142, 109-127, 1994
61994
Representation and manipulation of stereochemistry
B Rohde
Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes, 206-230, 2003
42003
Cheminformatik und Data Warehousing: Forschen mit dem Intranet
P Selzer, B Rohde, P Ertl
Nachrichten aus der Chemie 48 (12), 1471-1475, 2000
42000
Bridging chemical and biological data: implications for pharmaceutical drug discovery
JL Jenkins, J Scheiber, D Mikhailov, A Bender, A Schuffenhauer, ...
Comput. Approaches Cheminform. Bioinform. http://dx. doi. org/10.1002 …, 2012
32012
Fast calculation of molecular polar surface area directly from SMILES
P Ertl, B Rohde, P Selzer
Daylight European User Meetting, Cambridge, UK, 2000
32000
GM-search a System for Stereochemical Substructure Search
B Rohde
Zentralstelle der Studentenschaft, 1988
31988
Chromatographic fractionation of non-racemic mixtures of enantiomers on achiral phases
E Hug, B Rohde, WL Tsai, AS Dreiding
Chromatographia 25 (3), 244-244, 1988
21988
PF; Rohde, B. Storage and Searching of Stereochemistry in Substructure Search Systems
JM Barnard, A Cook
Beyond the Structure Diagram (Proceedings of a Conference held at the …, 0
2
Stereochemistry: Representation and Manipulation
B Rohde
Encyclopedia of Computational Chemistry 4, 2002
12002
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Articles 1–20