Special Interest Groups


BioInformatics Cheminformatics
SDF Writer US-ASCII charset limit [Cheminformatics] (17)
3D-e-Chem Nodes in KNIME for Linux [Cheminformatics] (1)
Knime and CDD Vault [BioInformatics] (4)
3D-e-Chem Pharmacophore reader and locale [Special Interest Groups] (3)
Identify Salts in molecules [Cheminformatics] (2)
3D-e-Chem Warnings in Linux KNIME [Cheminformatics] (1)
Analysing Fourier Transform Infra Red Spectroscopy data in KNIME [Cheminformatics] (1)
Stereochemistry - Identify Meso compounds [Cheminformatics] (1)
Stereocenters [Cheminformatics] (1)
connect a compounds list to an online tool [Cheminformatics] (3)
fast scalable fingerprints [Cheminformatics] (1)
SMILEs in Excel [Cheminformatics] (4)
string to fingerprint [Cheminformatics] (3)
3D-e-Chem temporary dir for align-IT warning [Cheminformatics] (2)
SAS XPORT file reader / SEND file reader now available in Lhasa community contribution [Cheminformatics] (4)
Canvas Fingerprint Generation Execute failed [Cheminformatics] (2)
CheS-Mapper [Cheminformatics] (5)
Vernalis Matched Molecular pairs updates [Cheminformatics] (6)
3D-e-Chem nodes [Cheminformatics] (5)
Questions about "from SMILE (or inChiKeys) to PubChem IDs". [Cheminformatics] (1)
PaDEL Issue [Cheminformatics] (4)
OpenBabel node - is there one or not? [Cheminformatics] (2)
Questions about MarvinSketch & MolConverter Nodes [Cheminformatics] (5)
Comparing molecules by Tversky similarity [Cheminformatics] (4)
Missing molecule to indigo [Cheminformatics] (4)
Error with OpenBabel on Mac [Cheminformatics] (3)
Chemical library overlap [Cheminformatics] (4)
CheEMBLdb Connector Input fails [Cheminformatics] (4)
RDKit Fingerprint node MACCs keys gives wrong number of bits [Cheminformatics] (2)
SyGMA python package install [Cheminformatics] (3)