**1 271**
results

**1 271**
results

- Go to itemThis node plots a 1D Kernel density function based on an incoming data table0
- Go to itemGenerates 2D coordinates for the input CDK cells, enabling them to be displayed in a 2D viewer.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 itemThis node plots a 2D Kernel density function based on an incoming data table0
- Go to itemA node which can render two and three dimensional graphs. Points may also be coloured or sized by further sets of categorical or …0
- Go to itemAs a prerequisite for the calculation of 3D coordinates, all hydrogens are converted to explicit hydrogens for template recogniti…0
- Go to itemThis node implements a fast descriptor based 3D similarity measure described by Ballester et al ([Bellester, P.J. and Richards, W…0
- Go to itemThis node implements a fast descriptor based 3D similarity measure described by Ballester et al ([Bellester, P.J. and Richards, W…0
- Go to itemCreates a new columns containing the RMSD distances between different conformers (required 3D coordinates). The computations are …0
- Go to itemView to display 3D depictions of molecular structures. The input table needs to contain a column containing either CDK or SDF val…1
- Go to itemCreates new columns holding the calculated WHIM molecular properties computed for each fully configured 3D structure. The computa…0
- Go to itemThis node creates AFR ranges based on category value pairs values have to be pre-sorted and in correct category order returns Cat…0
- Go to itemMatch MS signals to molecules from a database by mass. Web Documentation for AccurateMassSearch1
- Go to item(based on ImageJ 2_0_x)0
- Go to itemAdd to WKT (Well-known Text) geometries a column computed using the Contextual Query Language When your expression returns a nume…0
- Go to item(based on ImageJ 2_0_x)0
- Go to item(based on ImageJ 2_0_x)0

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