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MolCart


MolCart allows you to store large chemical compound libraries for searching and analysis. Moreover, it uses a fast relational database which is freely available without any limitations. Molcart is also unrestricted in terms of number of users. All you need is to install the MySQL server (www.mysql.com) on your Linux, Windows, or Mac box.

MolCart Features:

  • MySQL (free) based chemical cartridge - no need for expensive database system
  • MolCart is an enterprise wide chemical management system. Compound databases of any size can be stored in MolCart and analyzed and searched using ICM cheminformatic tools.
  • Fast chemical substructure and similarity search.
  • Fulltext (keywords) search by set of text fields.
  • 2D pharmacophore searching.
  • Add any number of additional filters (by MolWeight, LogP, etc ...).
  • Add new columns with molecular properties directly into the database.
  • Flexible database administration tools include: managing databases, tables, users and privileges.
  • Make unique (non-redundant) datasets of several chemical tables.
  • Develop target specific compound libraries.

We also offer MolCart compounds which is an up-to-date collection of vendor compound databases.

To try Molcart, use this link
To ask for a quote, please send a mail to info@molsoft.com

System requirements:

  • MySQL 3.23 or higher (4.xx is recommended)
  • Linux 2.4 or higher (any modern RedHat, Fedora or SuSE will work)
  • 1Gb of RAM (2Gb or more is recommended for large (>1 million) data sets
  • Fast SCSI drives are recommended for large data sets.

Optimization tips:

  • To achieve the maximum performance we recommend using a dedicated machine to run MolCart.
  • We recommend to use my-large.cnf or my-huge.cnf MySQL configuration files to run MolCart. You can find more information about MySQL server optimization here.

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