mychem 0.6.0 file released: mychem3-0.6.0.tgz

- Mac OS X is now fully supported
- The test suite has been updated
- New functions have been added:
  * bit_fp_or
  * bit_fp_count
  * bit_fp_and
  * molecule_to_inchi
  * inchi_to_molecule
- Several bugs have been fixed
- Molecule type is now MDL ...

02:49PM on Dec 30 2008

mychem 0.6.0 file released: mychem2-0.6.0.zip

- Mac OS X is now fully supported
- The test suite has been updated
- New functions have been added:
  * bit_fp_or
  * bit_fp_count
  * bit_fp_and
  * molecule_to_inchi
  * inchi_to_molecule
- Several bugs have been fixed
- Molecule type is now MDL ...

02:49PM on Dec 30 2008

mychem 0.6.0 file released: mychem2-0.6.0.tgz

- Mac OS X is now fully supported
- The test suite has been updated
- New functions have been added:
  * bit_fp_or
  * bit_fp_count
  * bit_fp_and
  * molecule_to_inchi
  * inchi_to_molecule
- Several bugs have been fixed
- Molecule type is now MDL ...

02:48PM on Dec 30 2008

documentation 0.6.0 file released: mychem3.pdf

- Spelling fixes
- Documentation describing new functions added
- Mac OS X installation details added
- Python SDF Loader script added

02:39PM on Dec 30 2008

documentation 0.6.0 file released: mychem2.pdf

- Spelling fixes
- Documentation describing new functions added
- Mac OS X installation details added
- Python SDF Loader script added

02:39PM on Dec 30 2008

mychem 0.5.9 file released: mychem-0.5.9.zip

Bug fixes
New functions added:
 - fingerprint3
 - fingerprint4
 - substruct_atom_ids
Compatible with Microsoft Windows XP
Updated documentation

01:39PM on Jun 19 2008

mychem 0.5.9 file released: mychem-0.5.9.tgz

Bug fixes
New functions added:
 - fingerprint3
 - fingerprint4
 - substruct_atom_ids
Compatible with Microsoft Windows XP
Updated documentation

01:39PM on Jun 19 2008

documentation 0.5.9 file released: mychem-0.5.9.pdf

01:37PM on Jun 19 2008

mychem 0.5.5 file released: mychem-0.5.5.zip

* New functions:
  - strip_salts
  - molecule_to_canonical_smiles
  - is_2D
  - is_3D
  - is_chiral
  - number_of_rings
  - number_of_acceptors
  - number_of_donors
  - molpsa
  - molmr
  - mollogp
* Enhancement of the Tanimoto function
* Bug fixes
* ...

11:47AM on Apr 08 2008