Optimization 

• The most common used tool to optimize a lead compound is to use a SAR table. MDL offers two tools. SAR Table can be activated being from ISIS/Base and is part of ISIS/Base. More possibilities are offered in ISIS for EXCEL. Tools like miner3D help you to analyze your data visually.
• Databases with bioactivities can help you finding ideas through analogs.
• Purchasing or syntheses of compounds or whole libraries can provide test samples.
• In silico calculations or searches in databases can avoid unnecessary experiments. Visualization of data is a very important part when using large amounts of data.
• Modeling is used to optimize single candidates or when working a small number of compounds (see SCULPT).