cdk-user@lists.sourceforge.net

2

replies

Bug in IteratingSDFReader in 2.0 cdk?

started 2017-07-24 15:03:09 UTC

2017-07-24 15:37:15 UTC

John Mayfield

7

replies

Atom Signatures with stereo-info

started 2017-07-21 13:39:51 UTC

2017-07-23 12:32:10 UTC

Marwin Segler

3

replies

Computing the LogD

started 2017-07-10 02:08:15 UTC

2017-07-11 06:16:13 UTC

Yannick .Djoumbou

0

replies

NCDK .NET Port of CDK

started 2017-07-10 14:17:16 UTC

2017-07-10 14:17:16 UTC

John Mayfield

8

replies

Title line for MDL formats

started 2017-06-24 19:23:15 UTC

2017-06-28 14:24:55 UTC

Tim Dudgeon

0

replies

Open positions

started 2017-06-27 19:46:24 UTC

2017-06-27 19:46:24 UTC

Karsten Klein

8

replies

CDK - issue with stereochemistry

started 2017-06-06 12:18:12 UTC

2017-06-08 12:19:16 UTC

John Mayfield

3

replies

Third CDK paper is out

started 2017-06-06 21:59:38 UTC

2017-06-07 21:18:34 UTC

Thierry Hanser

0

replies

CDK 2.0 Release

started 2017-06-07 00:23:46 UTC

2017-06-07 00:23:46 UTC

John Mayfield

3

replies

Maven Artifact Overview

started 2017-05-23 17:04:04 UTC

2017-05-24 02:56:16 UTC

John Mayfield

0

replies

Reaction depiction and converting a reaction to SMILES format

started 2017-05-16 18:04:34 UTC

2017-05-16 18:04:34 UTC

Rajesh C

7

replies

Strange behaviour of AtomContainer.getConnectedAtomsList()

started 2017-04-26 17:49:59 UTC

2017-05-04 16:20:31 UTC

Nikolas Glaser

0

replies

CDK 1.5.15

started 2017-05-02 23:54:35 UTC

2017-05-02 23:54:35 UTC

John Mayfield

1

reply

Bug or wrong SMILES?

started 2017-05-02 16:55:59 UTC

2017-05-02 17:07:36 UTC

John Mayfield

6

replies

n way-bonds

started 2017-04-27 12:54:51 UTC

2017-04-28 14:35:01 UTC

John Mayfield

0

replies

Request for Comment: AtomContainerRef

started 2017-04-25 03:52:34 UTC

2017-04-25 03:52:34 UTC

John Mayfield

2

replies

Draw IAtomContainer with AtomNumbers

started 2017-04-21 13:46:29 UTC

2017-04-21 14:05:44 UTC

John Mayfield

3

replies

General Question to method getAtomNumber(IAtom atom) of IAtomContainer

started 2017-04-07 21:28:42 UTC

2017-04-10 20:49:24 UTC

Nikolas Glaser

3

replies

Detect Position of Fragment in complete Molecule

started 2017-03-30 16:37:00 UTC

2017-03-31 00:24:29 UTC

John Mayfield

0

replies

Questions about the CDK 1.5.14 (JDK 1.8.0_121, maven 3.3.9) and the source code of calculateBCUT.java

started 2017-03-13 21:17:00 UTC

2017-03-13 21:17:00 UTC

John Mayfield

3

replies

Rendering 3D mols

started 2017-03-07 22:31:23 UTC

2017-03-07 23:29:22 UTC

Egon Willighagen

0

replies

Reaction subscripts in a Sanpshot and CDK Properties

started 2017-02-21 16:18:01 UTC

2017-02-21 16:18:01 UTC

Rajesh C

6

replies

'neutralizing' a molecule

started 2017-02-17 19:51:24 UTC

2017-02-18 16:10:40 UTC

John Mayfield

0

replies

[Cdk-devel] org.openscience.smsd.algorithm.rgraph.CDKSubGraphHandler

started 2017-02-13 19:54:17 UTC

2017-02-13 19:54:17 UTC

John Mayfield

1

reply

Cdk-user Digest, Vol 124, Issue 10

started 2017-01-27 19:21:30 UTC

2017-02-13 14:55:26 UTC

Rajesh C

2

replies

Writing V3000 format

started 2017-02-06 23:43:21 UTC

2017-02-07 14:39:55 UTC

Tim Dudgeon

2

replies

Cdk-user post from r6174@ymail.com requires approval

started 2017-01-27 17:54:08 UTC

2017-02-02 19:26:50 UTC

John Mayfield

0

replies

Store image with text elements

started 2017-01-27 16:15:52 UTC

2017-01-27 16:15:52 UTC

Rajesh C

3

replies

mailing list, issues, and website (was: Your submission to Journal of Cheminformatics - CHIN-D-16-00104)

started 2016-12-29 21:24:00 UTC

2017-01-27 15:55:50 UTC

Evelo Chris (BIGCAT)

0

replies

Storing structure as an image with text elements

started 2017-01-27 13:44:25 UTC

2017-01-27 13:44:25 UTC

Rajesh C