FILTER Database preparation Property calculation

Previous: 5. The Filter Files Up: 5. The Filter Files Next: 5.1.1 Customizing Filters

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5.1 Filter file format

The four types of statements that can occur in a filter file are physical property limits, rules, newrules, and selections. The statements should occur one-per-line in the filter file.

• 5.1.1 Customizing Filters
• 5.1.2 Physical property limits
  • 5.1.2.1 Simple properties
  • 5.1.2.2 LogP
  • 5.1.2.3 Solubility
  • 5.1.2.4 Pharmacokinetic predictors
  • 5.1.2.5 Aggregators
• 5.1.3 Elemental filters
• 5.1.4 Functional group rules
• 5.1.5 New rules
• 5.1.6 Selection statements

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				FILTER Database preparation Property calculation

Previous: 5. The Filter Files Up: 5. The Filter Files Next: 5.1.1 Customizing Filters

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Documentation released on 31 January 2007.