Bioisostere Toolkit 5.0.0.0
Attention
Bioisostere TK is currently only available in C++ and Python.
- Theory
- Bioisostere Examples
- Building Brood Database (CHOMP)
- Creating Brood Query
- Generating Brood Hits
- Generating Brood Matches
- Overlay between Fragments
- Replacing a Fragment in a Molecule
- Building and Using an External Compound Database
- Creating Brood Query by Linking Two Molecules (Bridging)
- Clustering Brood Hits
- Building Combined Hits from Different Queries of the Same Molecule with OEBroodComboBuilder
- Curating Scored Fragment Hits with OEScoreHitlist
- Comparing Connection and Molecule Building Outcomes
- Preliminary API
- Preliminary OEBioisostere Classes
- OEBroodBuildOptions
- OEBroodBuildResult
- OEBroodCluster
- OEBroodClusterBuilder
- OEBroodComboBuilder
- OEBroodDBFilter
- OEBroodDBPacket
- OEBroodFragPrep
- OEBroodGeneralOptions
- OEBroodHit
- OEBroodHitlist
- OEBroodHitlistOptions
- OEBroodMolBuilder
- OEBroodOverlay
- OEBroodOverlayBase
- OEBroodQuery
- OEBroodScore
- OEScoreHitlist
- OEBroodScoreOptions
- OECPDDatabase
- OEDBBuffer
- OEDBBuilder
- OEDBReader
- OEDBScreenOptions
- OEDBWriter
- OEExtrinsicPropOptions
- OEFragConfReader
- OEFragmentOptions
- OEFragOverlay
- OEHitlistBase
- OEHitlistBuilder
- OEHitlistBuilderOptions
- OEIntrinsicPropOptions
- OEMolCTBuilder
- OEMolPropertyOptions
- OESimilarity
- Preliminary OEBioisostere Constants
- Preliminary OEBioisostere Functions
- OEBioisostereGetArch
- OEBioisostereGetLicensee
- OEBioisostereGetPlatform
- OEBioisostereGetRelease
- OEBioisostereGetSite
- OEBioisostereGetVersion
- OEBioisostereIsLicensed
- OECreateBroodQuery
- OECreateFragFilter
- OECreateFlipperOptions
- OEGenerateConformers
- OEGetBroodStatus
- OEGetDBIndices
- OEIsFragment
- OEReadBroodQuery
- OEWriteBroodQuery
- Preliminary OEBioisostere Classes
- Release History