<aside> 🧑‍🔬 Learn how to quickly filter, sort, group and apply bulk actions to large lists of compounds to efficiently review them.

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Section Outline:

Viewing the Data

Table and Grid View

Aligning Molecules

Managing Columns

Applying Filters

<aside> 🧑‍🔬 Chemical filters are essentially “rules” which have been identified and developed over time which help us quickly use structural similarities to identify compounds that yield certain properties. Applying these chemical filters can help you quickly screen through large lists of compounds to eliminate compounds that are undesirable (i.e. unstable, reactive, promiscuous, etc).

This section will walk you through how to apply chemical filters to your list of compounds.

Read this paper for more information around chemical filters and rules and how they are used in the drug discovery process.

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Chemical Filters

Managing Multiple Chemical Filters

Managing Column Filters

Substructure Chemical Filters

Sorting and Batching

Sort by Structure Similarity

Group Actions and Review

Download and Export Dataset

Up next: Using the Molecular Editor