Publications
- Bohl, Loeprecht, Wendt, Heritage, Richmond, Willett:
Unsupervised 3D Ring Template Searching as an Ideas Generator for Scaffold
Hopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS)
Methods J. Chem. Inf. Model. 2006, 46, 1882-1890
- Bohac, Loeprecht, Damborsky, Schüürmann: Impact of
Orthogonal Signal Correction (OSC) on the Predictive Ability of CoMFA Models for
the Ciliate Toxicity of Nitrobenzenes Quant. Struct.-Act. Relat. 21
(2002)
- Tolls, van Dijk, Verbruggen, Hermens, Loeprecht, Schüürmann: Aqueous solubility -
molecular size relationships - A mechanistic case study using C10 to C19-alkanes
J. Phys. Chem. A 2002, 106, 2760-2765
- IIwai, Yoshida, Arai, Schüürmann, Loeprecht, Fabian, Suzuki: Analysis of the Flow Patterns of Liquid Organic Compounds between Blade Electrodes by
Classification Models J. Chem. Inf. Comput. Sci. 2000, 40, 988-993
- Schröder, Schwarz, Loeprecht, Koch, Ogawa: Generation of 1,3-dithia-, 1-selena-3-thia-,
and 1,3-diselena-2-tellurole by neutralization-reionization mass spectrometry Eur. J. Inorg. Chem. (7) 983-987 1998