TLogP estimates logarithmic octanol/water partition coefficients (log Kow) of uncharged organic compounds.
Description References Screenshots Download a free demo	Description TLogP uses topological and substructure coding to describe molecules. Local and global models of log Kow have been built in a database of organic molecules. Calculations provide one of the following results: The molecule is found in the database: The experimental log Kow value is presented. The molecule closely resembles others of the database: A local model is used to calculate the log Kow value (highly reliable estimation). The molecule is far from resembling others in the database: The global model is used to calculate the log Kow value (moderately reliable estimation).
	Following features are integrated in TLogP 1.0: Automatic model building based on a set of any uncharged organic molecule. Batch calculation of sets containing any number of organic molecules stored in SD-file format. Use of individual substructures. Use of individual warnings.
	References
	M. Junghans & E. Pretsch Uniform Topology-Based Structure Descriptor Combined with Substructure Coding for Estimating Partition Coefficients of Organic Compounds (pdf document, 35 KB) M. Junghans & E. Pretsch Local Modeling for Estimating Partition Coefficients of Organic Compounds (pdf document, 57 KB) M. Junghans & E. Pretsch Estimation of partition coefficients of organic compounds: Local database modeling with uniform-length structure descriptors, Fresenius J. Anal. Chem., 359 (1997) 88-92. J. T. Clerc & A. L. Terkovics Versatile topological structure descriptor for quantitative structure/property studies, Anal. Chim. Acta, 235 (1990) 93-102.

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