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The Data-Driven Future of Drug Development

DrugBank

For instance, Insilico Medicine , an AI-driven drug discovery company, has leveraged generative models to design novel molecules with desired properties, such as improved solubility and metabolic stability.    Moreover, data science designs novel drugs, such as antibody-drug conjugates (ADC) and bispecific antibodies.

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How the AI revolution can accelerate early drug discovery

Drug Target Review

Complex challenges such as metabolic stability or absorption, distribution, metabolism or excretion (ADME) properties could be better predicted, accurately filtering out poor candidates and streamlining discovery. To really benefit from AI, the pharmaceutical industry must be more open to data sharing.

Drugs 105
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Breaking C-F bonds in drugs

Metabolite Tales Blog

Fluorine is unique in its ability to positively impact on several important properties, including pKa, biological activity, lipophilicity and, crucially for the medicinal chemist, metabolism. Now >20% of all commercialised medicines in the pharmaceutical industry contain a fluorine atom [2].

Drugs 52