> 5 million in-stock compounds Whether you’re diving into computational chemistry or leading screening efforts, MolPort equips you with indispensable tools for: Diversity Analysis Clustering Virtual Screening and Docking Machine Learning Databases are provided as SD files or SMILES format for easy use with almost all computational chemistry software. 2D Compound Data Delve into Molport’s curated and standardized commercially available compound 2D database. Pick the version that is most suitable to your needs, starting from…
We are pleased to unveil an exciting addition to Molport’s platform that will enhance how you search for stock building blocks. Introducing the Functional Groups Directory, a powerful resource designed to simplify your compound exploration process. The Functional Groups Directory page on our website organizes compounds based on their functional groups, giving a structured approach to finding building blocks that align with your synthesis goals. This directory provides a comprehensive overview of functional groups, including…
Take your search offline with integrated access to our detailed databases. DATABASES Access databases through third party platforms. We also offer data access through a variety of third party platforms. Please note update frequency will vary between these. Chemspider ZINC PubChem Schrodinger SOFTWARE Using software to access our databases Integrate our up-to-date database into your software for small molecule design, optimization, data analysis, modelling and more. Optibrium Stardrop SPAYA MOE ChemAxon DataWarrior WORKFLOWS Open source interfaces to simplify…
A round-up of recent publications describing MolPort’s contributions to cutting-edge R&D projects We recently described two publications which cited the use of MolPort’s database of natural and natural-like products (a) to create a small, diverse yet representative set of available compounds, and (b) in the search for potential Covid-19 therapeutics. In this post, we are pleased to share details of other recent articles, papers, and books which discuss the use of MolPort’s range of databases and services…
