Algorithms
Investigators at Cardiff University have published new data on algorithms
Published in Genetics and Environmental Law Weekly, November 17th, 2007
Investigators publish new data in the report 'Calculation of lipophilicity of a large, diverse dataset of anticancer platinum complexes and the relation to cellular uptake.' "A quantitative structure--property relationship (QPSR) for the octanol--water partition of platinum complexes was constructed using molecular descriptors derived from density functional (DFT) calculations. A dataset of partition data for 64 complexes, consisting of 43 square-planar platinum(II) and 21 octahedral platinum(IV) complexes, was drawn from literature sources," researchers in Cardiff, the United Kingdom report.
"Not only does this dataset include considerable structural diversity of...
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