41 results
- Go to itemThis short workflow demonstrates how to generate chemical fingerpints using different methods. It uses nodes from the RDKit and t…1
- Go to itemThis node can be used to read a FPS file and convert the fingerprint records into knime fingerprints. The format of the .fps file…0
- Go to itemThis node can be used to write a FPS file using knime fingerprints from an input table. The format of the FPS file is mentioned h…0
- Go to itemGenerates hashed count-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types …0
- Go to itemPicks diverse rows from an input table based on tanimoto distance between fingerprints. The picking is done using the MaxMin algo…0
- Go to itemGenerates hashed bit-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types ar…0
- Go to itemThis node reads an FPS file with its fingerprint records into a KNIME table. The format of the .fps file is mentioned here: https…0
- Go to itemThis node writes an FPS file using fingerprints from DenseBitVector cells of an input table. If the file exists already it will n…0
- Go to itemThis node converts 'Dense' binary (bitvector) or count (bytevector) fingerprints to the corresponding 'Sparse' representation NB …0
- Go to itemThis node converts to a fingerprint column from a Binary String representation This node was developed by Vernalis (Cambridge, UK…0
- Go to itemThis node converts to a fingerprint column from a column containing a list of set bits This node was developed by Vernalis (Cambr…0
- Go to itemThis node converts to a fingerprint column from a Hexadecimal String representation This node was developed by Vernalis (Cambridg…0
- Go to itemThis node converts to a fingerprint column from a column containing a list of set bits This node was developed by Vernalis (Cambr…0
- Go to itemThis node converts to a fingerprint column from a String representation. The user needs to select whether the string represents a…0
- Go to itemThis node converts binary (bitvector) fingerprints to a binary String representation This node was developed by Vernalis Research…0
- Go to itemThis node converts a count (bytevector) fingerprints column to a column of List cells containing all the individual counts This n…0
- Go to itemThis node converts binary (bitvector) fingerprints to a Hexadecimal String representation This node was developed by Vernalis Res…0
- Go to itemThis node converts a fingerprint column to a List Cell containing a list of the set bits. A cell containing the fingerprint lengt…0
- Go to itemThis node converts fingerprints to a String representation For binary (bitvector) fingerprints, this is of the form '{length=n, s…0