University of Tuebingen Lehrstuhl Kognitive Systeme, Prof Dr. Zell
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Bibliography

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[lhdl94] P. Lampen, H. Hillig, A. N. Davies, and M. Linscheid, JCAMP-DX for Mass Spectrometry, Appl. Spec., 48, 1545-1552, 1994.

[ml91] E. C. Meng and R. A. Lewis, {D}etermination of {M}olecular {T}opology and {A}tomic {H}ybridisation {S}tates from {H}eavy {A}tom {C}oordinates, J. Comp. Chem., 12, 891-898, 1991.

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[smiles] Inc. Daylight Chemical Information Systems, Simplified Molecular Input Line Entry System (SMILES).

[tc00] R. Todeschini and V. Consonni, 3-52-29913-0, Wiley-VCH, Handbook of Molecular Descriptors.

[wc99] S. A. Wildman and G. M. Crippen, Prediction of Physicochemical Parameters by Atomic Contributions, J. Chem. Inf. Comput. Sci., 39, 868-873, 1999.

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[wfz04b] J. K. Wegner, H. Froehlich, and A. Zell, Feature Selection for Descriptor based Classification Models. 2. Human Intestinal Absorption, J. Chem. Inf. Comput. Sci., 44, 931-939, 2004.

[zup89] J. Zupan, 0-471-92173-4, Wiley-VCH, Algorithms for Chemists.


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