Edited by:
Andrew Dalke
[ Editor ]
Edited by:
Joerg Kurt Wegner
[ Editor ]
Which open source tools can calculate canonical tautomers? Code? Command line?
Edited by:
Iain Wallace
Free tools for de novo compound generation based on a single compound
Edited by:
Noel O'Boyle
[ Admin ]
Command line molecule visualization?
Edited by:
Noel O'Boyle
[ Admin ]
How to solve a DLL loading problem when Installing RDkit library?
Edited by:
Markus Sitzmann
[ Editor ]
Can an InChIKey represent a racemic mixture?
Edited by:
Markus Sitzmann
[ Editor ]
What's the best way to match up InChIs from ChemSpider API and NCI CIR
Edited by:
Miquel Duran
How can I calculate the SMILES with no stereochemistry in Pybel?
Edited by:
wdiwdi
[ Editor ]
Does the SMILES grammar include the symbol | ?
Edited by:
Miquel Duran
Drug approval dates?
Edited by:
paskalevavesselina
Software for generation of ring-chain tautomerism?
Edited by:
cdsouthan
DrugBank's chemical taxonomy tree? (and comparison to ChEBI's chemical entities)
Edited by:
Egon Willighagen
[ Admin ]
How do I calculate the enthalpy of formation of a gaseous metal cation for a given oxidation state?
Edited by:
wdiwdi
[ Editor ]
Does SMARTS query "[CH2][NH2]" match [CH2][NH2+]?
Edited by:
Matteo Floris
[ Editor ]
How to display a chemical similarity network within HTML documents?
Edited by:
rajarshi guha
[ Editor ]
How to map CAS numbers to ATC codes?
By:
Miquel Duran
How to do a 3D flexible molecular superposition?
Edited by:
Egon Willighagen
[ Admin ]
Calculating NMR proton-proton coupling constants?
Edited by:
Egon Willighagen
[ Admin ]
STITCH and, for instance, DrugBank consistency on protein interactions?
Edited by:
Egon Willighagen
[ Admin ]
how does CDK calculate formal charge?
Edited by:
Noel O'Boyle
[ Admin ]
How to reorder a SMILES string to have specific first and final atoms?
Edited by:
Karol M. Langner
[ Editor ]
Metropolis Monte Carlo Search
Edited by:
Kyle Lutz
[ Editor ]
Are there any opensource tools that allow you to evaluate 2 fields within an SDF file?
Edited by:
Prashanth Athri
How do I evaluate the effectiveness of molecular similarity methods?
Edited by:
Noel O'Boyle
[ Admin ]