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Wolf-Dietrich Ihlenfeldt
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Journal Articles
- 2020
- [j21]Devendra K. Dhaked
, Wolf-Dietrich Ihlenfeldt
, Hitesh Patel
, Victorien Delannée
, Marc C. Nicklaus
:
Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2. J. Chem. Inf. Model. 60(3): 1253-1275 (2020) - [j20]Philip N. Judson
, Wolf-Dietrich Ihlenfeldt
, Hitesh Patel, Victorien Delannée, Nadya I. Tarasova
, Marc C. Nicklaus
:
Adapting CHMTRN (CHeMistry TRaNslator) for a New Use. J. Chem. Inf. Model. 60(7): 3336-3341 (2020) - 2014
- [j19]Wolf-Dietrich Ihlenfeldt:
Ushering the Cactvs Toolkit into the Python Age (without breaking the legacy). J. Cheminformatics 6(S-1): 34 (2014) - 2013
- [j18]Wolf-Dietrich Ihlenfeldt:
A next-generation chemistry database cartridge. J. Cheminformatics 5(S-1): 19 (2013) - [j17]Wolf-Dietrich Ihlenfeldt:
Taking the PubChem web sketcher to the next level. J. Cheminformatics 5(S-1): 20 (2013) - 2012
- [j16]Wolf-Dietrich Ihlenfeldt:
Comment on the paper "indexing molecules with chemical graph Identifiers" by Elisabeth Gregori-Puigjané, Rut Garriga-Sust, and Jordi Mestres. J. Comput. Chem. 33(2): 237 (2012) - [j15]Wolf-Dietrich Ihlenfeldt:
Revisiting the dataflow principle for chemical information processing. J. Cheminformatics 4(S-1): 15 (2012) - [j14]Markus Sitzmann, Iwona E. Weidlich
, Igor V. Filippov, Chenzhong Liao
, Megan L. Peach
, Wolf-Dietrich Ihlenfeldt, Rajeshri G. Karki, Yulia V. Borodina, Raul E. Cachau, Marc C. Nicklaus
:
PDB Ligand Conformational Energies Calculated Quantum-Mechanically. J. Chem. Inf. Model. 52(3): 739-756 (2012) - 2010
- [j13]Markus Sitzmann, Wolf-Dietrich Ihlenfeldt, Marc C. Nicklaus
:
Tautomerism in large databases. J. Comput. Aided Mol. Des. 24(6-7): 521-551 (2010) - 2009
- [j12]Wolf-Dietrich Ihlenfeldt, Evan Bolton
, Stephen H. Bryant:
The PubChem chemical structure sketcher. J. Cheminformatics 1: 20 (2009) - 2006
- [j11]Frank Oellien
, Jörg Cramer, Carsten Beyer, Wolf-Dietrich Ihlenfeldt, Paul M. Selzer:
The Impact of Tautomer Forms on Pharmacophore-Based Virtual Screening. J. Chem. Inf. Model. 46(6): 2342-2354 (2006) - 2005
- [j10]Frank Oellien
, Wolf-Dietrich Ihlenfeldt, Johann Gasteiger:
InfVis - Platform-Independent Visual Data Mining of Multidimensional Chemical Data Sets. J. Chem. Inf. Model. 45(5): 1456-1467 (2005) - 2003
- [j9]Vladimir Poroikov
, Dmitrii Filimonov
, Wolf-Dietrich Ihlenfeldt, Tatyana Gloriozova, Alexey Lagunin
, Yulia V. Borodina
, Alla Stepanchikova, Marc C. Nicklaus
:
PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser. J. Chem. Inf. Comput. Sci. 43(1): 228-236 (2003) - 2002
- [j8]Wolf-Dietrich Ihlenfeldt, Johannes H. Voigt, Bruno Bienfait, Frank Oellien
, Marc C. Nicklaus
:
Enhanced CACTVS Browser of the Open NCI Database. J. Chem. Inf. Comput. Sci. 42(1): 46-57 (2002) - 2000
- [j7]Klaus Engel, Frank Oellien, Thomas Ertl, Wolf-Dietrich Ihlenfeldt:
Client-Server-Strategien zur Visualisierung komplexer Struktureigenschaften in digitalen Dokumenten der Chemie (Client-Server Strategies for Visualization of Complex Molecular Structure Properties in Digital Documents in Chemistry). Informationstechnik Tech. Inform. 42(6): 17-23 (2000) - 1998
- [j6]Wolf-Dietrich Ihlenfeldt, Klaus Engel:
Visualizing chemical data in the internet - data-driven and interactive graphics. Comput. Graph. 22(6): 703-714 (1998) - 1995
- [j5]Wolf-Dietrich Ihlenfeldt, Johann Gasteiger:
Augmenting Connectivity Information by Compound Name Parsing: Automatic Assignment of Stereochemistry and Isotope Labeling. J. Chem. Inf. Comput. Sci. 35(4): 663-674 (1995) - 1994
- [j4]Wolf-Dietrich Ihlenfeldt, Johann Gasteiger:
Hash Codes for the Indentification and Classification of Molecular Structure Elements. J. Comput. Chem. 15(8): 793-813 (1994) - [j3]Wolf-Dietrich Ihlenfeldt, Yoshimasa Takahashi, Hidetsugu Abe, Shin-ichi Sasaki:
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility. J. Chem. Inf. Comput. Sci. 34(1): 109-116 (1994) - [j2]Wolf-Dietrich Ihlenfeldt:
An efficient approach toward a flexible and general knowledge definition and program control language system for a synthesis-planning program. J. Chem. Inf. Comput. Sci. 34(4): 872-880 (1994) - 1992
- [j1]Johann Gasteiger, Wolf-Dietrich Ihlenfeldt, Ralf Fick, J. Royce Rose:
Similarity concepts for the planning of organic reactions and syntheses. J. Chem. Inf. Comput. Sci. 32(6): 700-712 (1992)
Conference and Workshop Papers
- 2001
- [c2]Joachim J. Eggers, Wolf-Dietrich Ihlenfeldt, Bernd Girod:
Digital Watermarking of Chemical Structure Sets. Information Hiding 2001: 200-214 - 1995
- [c1]Wolf-Dietrich Ihlenfeldt, Yoshimasa Takahashi, Hidetsugu Abe:
Dataflow processing in a global networked context: a solution for the computational methods pool management problem. HICSS (5) 1995: 227-236
Coauthor Index
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