**22**
results

- Go to itemFor each geometry, extract the x and y coordinates into double columns. The actual computation is done by the Geotools library .
- Go to itemThis node takes a table containing a column with molecules or reactions as a target and append new column with these objects in c…
- Go to itemThis node calculates the cardinality of a fingerprint. For binary (BitVector) fingerprints, this is the number of set bits. For c…
- Go to itemExtracts the points of the geometry into a Cell containing double coordinates in the form [x1,y1,x2,y2,x3,y3...] The actual compu…
- Go to itemThis node calculates the fingerprint densities For binary (bitvector) fingerprints, this is the proportion of set bits For count …
- Go to itemComputes the bounding box for all the entities of the input collection. Returns a collection containing only one line containing …
- Go to itemThis node takes a table containing a column with molecules as a target and append new column with these objects in InChi format a…
- Go to itemThis node calculates the fingerprint 'Emptiness' For binary (bitvector) fingerprints, , this is 'true' is there are no set bits F…
- Go to itemThis node calculates the fingerprint lengths For binary (bitvector) fingerprints, this is the number of bits For count (bytevecto…
- Go to itemCreate new columns holding molecular properties, computed for each structure. The computations are based on the Indigo toolkit an…
- Go to itemThis node returns the charge count(s) of a SMILES Cell. This node was developed by Vernalis Research . For feedback and more info…
- Go to itemThis node returns the explicitly-defined chiral centre count of a SMILES Cell. This node was developed by Vernalis Research . For…
- Go to itemThis node returns the ring count of a SMILES Cell. This node was developed by Vernalis Research . For feedback and more informati…
- Go to itemThis node returns the dummy atom count (i.e. '*', '[*]', '[3*]' etc) of a SMILES Cell. This node was developed by Vernalis Resear…
- Go to itemThis node returns the C, N and/or O count(s) of a SMILES Cell. This node was developed by Vernalis Research . For feedback and mo…
- Go to itemThis node returns the heavy atom count of a SMILES Cell. This node was developed by Vernalis Research . For feedback and more inf…
- Go to itemThis node returns the possible stereoisomer count of a SMILES Cell, based on the explicitly defined chiral centres This node was …
- Go to itemThis node returns the ring count of a SMILES Cell. More specifically, it returns the count of ring closure bonds. 'Broken' ring c…
- Go to itemThis node calculates the fingerprint total bit counts For binary (bitvector) fingerprints, this is the number of set bits (i.e. i…
- Go to itemThis node calculates the Type of a fingerprint. Both BitVector ('binary') and ByteVector ('count') fingerprints aresupported Fing…