**22**
results

**22**
results

- 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…0
- Go to itemThis node returns the explicitly-defined chiral centre count of a SMILES Cell. This node was developed by Vernalis Research . For…0
- Go to itemThis node returns the ring count of a SMILES Cell. This node was developed by Vernalis Research . For feedback and more informati…0
- Go to itemThis node returns the dummy atom count (i.e. '*', '[*]', '[3*]' etc) of a SMILES Cell. This node was developed by Vernalis Resear…0
- 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…0
- 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…0
- Go to itemCreate new columns holding molecular properties, computed for each structure. The computations are based on the Indigo toolkit an…0
- Go to itemThis node accepts a table with structures and divides it into two sets, one with structures that have correct valencies on atoms,…0
- Go to itemFor each geometry, extract the x and y coordinates into double columns. The actual computation is done by the Geotools library .0
- 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…0
- Go to itemComputes the bounding box for all the entities of the input collection. Returns a collection containing only one line containing …0
- Go to itemFor each geometry, extract the type of geometry and stores it into an additional String column. The type might be for instance "P…0
- Go to itemThis node calculates the fingerprint lengths For binary (bitvector) fingerprints, this is the number of bits For count (bytevecto…0
- Go to itemThis node calculates the fingerprint total bit counts For binary (bitvector) fingerprints, this is the number of set bits (i.e. i…0
- Go to itemThis node calculates the Type of a fingerprint. Both BitVector ('binary') and ByteVector ('count') fingerprints aresupported Fing…0
- Go to itemThis node calculates the cardinality of a fingerprint. For binary (BitVector) fingerprints, this is the number of set bits. For c…0
- Go to itemThis node calculates the fingerprint densities For binary (bitvector) fingerprints, this is the proportion of set bits For count …0
- Go to itemThis node calculates the fingerprint 'Emptiness' For binary (bitvector) fingerprints, , this is 'true' is there are no set bits F…0
- 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…0
- 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…0

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