Improvements to version 4.52:

Toolkit:

• Some atom map operations 2X faster.

• Transformation operations 10-20% faster.

• Bug fixes:
  • Copies of reaction patterns and transformations invalid.
  • Labels for reaction depictions fail.
  • Part n-tuples fail for molecules with explicit hydrogens. Common with atom-mapped reactions.

CCR Database:

Now link multi-step reactions.

CCR contains 288,500 reactions (268,000 SMILES), 95,500 are reported as single-steps, 146,800 are part of 46,300 multi-step sequences.

New update: 1996 data.