Publications by authors named "Alan H Lipkus"
Structural Approach to Assessing the Innovativeness of New Drugs Finds Accelerating Rate of Innovation.
ACS Med Chem Lett
November 2020
Measuring innovation in the pharmaceutical industry is challenging. Counts of new molecular entities (NMEs) approved by the Food and Drug Administration (FDA) are commonly used, but this measure only gauges quantity not innovativeness. A new indicator of innovation for small molecule and peptide drugs based on structural novelty is proposed and used to analyze recent trends in pharmaceutical innovation.
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- - A study analyzed a large set of organic compounds from the CAS Registry to examine changes in structural diversity over a 10-year period, focusing on the framework of the molecules, which includes their ring systems and chain fragments.
- - Compounds were categorized based on their first appearance in literature, revealing that frequently used frameworks in the past tend to be reused, but their popularity can shift over time due to various factors.
- - Overall, framework diversity has increased, largely due to many new frameworks being introduced, despite some frameworks being reused often; furthermore, a significant portion of frameworks occurs infrequently, indicating a growing diversity in chemical structures.
By analyzing the scaffold content of the CAS Registry, we attempt to characterize in a comprehensive way the structural diversity of organic chemistry. The scaffold of a molecule is taken to be its framework, defined as all its ring systems and all the linkers that connect them. Framework data from more than 24 million organic compounds is analyzed.
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