| Tools |
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| We only have one tool. Our current research and development efforts focus on the commercially available AweSuM. |
Wednesday, 22 May 2013, 01:26:17
Spark
| Chemical representation |
| Computers do not always comprehend chemical information in a way that appeals to chemists. Most cheminformatics methods represent compounds as a mere set of descriptor values and then ignore the molecular structure. As no set of molecular descriptor can capture all biologically important features, such statistical cheminformatics approaches inevitably neglect most of the chemical information that is present in a set of compounds. |