R&D scientific software company Dotmatics has launched Chemistry Solution for Small Molecule Drug Discovery, a software package including applications, workflows and data management capabilities.
Boston-based Dotmatics says the software supports collaboration and productivity between research teams, helps curb operational inefficiencies and supports data-driven decision-making.
The company says the software can help drug developers optimize investments in small molecule science.
In 2021, U.S.-based drug development companies spent $83 billion on drug development, which represents more than tenfold the inflation-adjusted level in the 1980s. Over the past four decades, productivity in research labs has also fallen as workflows have grown more complex and data sets more fragmented.
Dotmatics’ new software offering also provides templates designed to support drug discovery workflows spanning from hit discovery to lead optimization research. Included in the templates are support for design, synthesis, sample logistics, QC analysis, screening and SAR analysis.
Chemistry Solution for Small Molecule Drug Discovery also offers guided visualizations and preconfigured cheminformatics analytics functionalities.
The new software is an outgrowth of Dotmatics’ work on scientific informatics systems for small molecule drug discovery, which began with the company’s inception in 2005. “In that time we have implemented hundreds of systems in organizations around the world,” LeBeau said. “From these we have learned what works, and what doesn’t, to support effective and productive small molecule discovery. The Dotmatics Small Molecule Drug Discovery Solution brings together and codifies all those best practices that we have seen and contributed to over the years.”
Dotmatics started working on the solution in late 2021. “It came together quickly due to the depth of knowledge and skills that has accrued within Dotmatics,” LeBeau added.
Filed Under: Drug Discovery and Development, machine learning and AI