Screen

This category contains 18 nodes.

BCUT Streamable

BCUT descriptors.

Chemical Fingerprint Streamable

Chemical Fingerprint descriptors.

ECFP/FCFP Streamable

ECFP - Extended-Connectivity Fingerprints.

Maccs Fingerprint Streamable

Maccs Fingerprint descriptors.

MolSimilarity 

Calculate the dissimilarity.

Pharmacophore Fingerprint Streamable

Pharmacophore Fingerprint descriptors.

Reaction Fingerprint Streamable

Reaction Fingerprint descriptors.

RxnSimilarity 

Calculate the dissimilarity based on a Reaction Fingerprint.

Screen3D 

Calculate the three dimensional similarity comparison of molecular pairs.