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Reaxys® Medicinal Chemistry covers the intersection between the informational spaces of small molecules and bioactivity. Mediating the relationships in this intersection are the drug candidates and the druggable targets biological pathways, tissues, cell lines, organisms and bioassays that were used to test hit and lead compounds. Consequently, all of the compounds included in Reaxys Medicinal Chemistry have reported bioactivity and all of the data are for real, experimentally determined biological effects.
In this informational space, you will find answers to questions that support decisions for drug discovery and lead optimization. If you are looking for compounds to test or modify, you will find information on affinity, potency, specificity and synthesis. If you are looking for guidance on how to optimize or repurpose a compound, you will additionally find information on the pharmacokinetic properties, toxicity, off-target activity, metabolism and transport of the compound or similar molecules.
The mission of Reaxys® Medicinal Chemistry is to facilitate the development of ‘smarter leads’ – leads with optimal affinity, selectivity and ADMET properties; leads that will not fail in preclinical and clinical phases for reasons that could have been predicted. This requires access to data that must be laboriously extracted by hand from the overwhelmingly large body of published literature. For that, we have established a methodical and unrivalled production process.
Reaxys® Medicinal Chemistry is to be the single source for the most detailed and high-quality data on small molecules that are relevant and meaningful to medicinal chemistry.
