Version 1.0b of the Discngine Chemistry Collection has been released on March the 27th.
This collection includes:
- Pharmacophore Graph: presented earlier this year at the Accelrys UGM, converts molecules to pharmacophore graphs. It has been designed for lead hopping strategies.
- Similarity: fast similarity search using several different scoring functions, recursive similarity search and non linear 2D-similarity map.
- Utilities: first occurrence and registration filter, and property encryption with MD5 or SHA.
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The complete discngine chemistry collection is available for download on www.discngine.com, including the documentation, release notes and installation guide. The beta version licence is due to expire on May 15th.
This collection includes:
- Pharmacophore Graph: presented earlier this year at the Accelrys UGM, converts molecules to pharmacophore graphs. It has been designed for lead hopping strategies.
- Similarity: fast similarity search using several different scoring functions, recursive similarity search and non linear 2D-similarity map.
- Utilities: first occurrence and registration filter, and property encryption with MD5 or SHA.
The complete discngine chemistry collection is available for download on www.discngine.com, including the documentation, release notes and installation guide. The beta version licence is due to expire on May 15th.
