2022 Metabolic Stability Pharmaceuticals Research 
Metabolite Tales Blog
MAY 12, 2023
Now >20% of all commercialised medicines in the pharmaceutical industry contain a fluorine atom [2]. This was surprising given that replacement of a phenyl with a pyrimidine and fluorination of aryl or heteroaryl rings are techniques often used to increase metabolic stability. 2022), JBMR Plus, 6: e10557. Benjamin M.
Drug Target Review
SEPTEMBER 20, 2023
Training AI/ML tools to predict results of otherwise complex and time-consuming calculations is gaining traction in pharmaceutical R&D. To really benefit from AI, the pharmaceutical industry must be more open to data sharing. Research and Development in the Pharmaceutical Industry | Congressional Budget Office [Internet].
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Practical Cheminformatics
AUGUST 3, 2023
Most pharmaceutical compounds tend to have solubilities somewhere between 1 and 500 µM. In a 2022 review by Haddad of the CNS penetration of antibiotics, the percentage of Ceftriaxone in CSF relative to plasma varied between 0.5 Many have suggested that pharmaceutical companies should open more of their data to the community.
Practical Cheminformatics
JANUARY 2, 2024
The papers covered here reflect my research interests and biases, and I’ve certainly overlooked areas that others consider vital. 2022 saw the emergence of deep learning (DL) methods for docking. Here’s the first part of my review of some interesting machine learning (ML) papers I read in 2023. Docking into AlphaFold2 Structures 3.
Metabolite Tales Blog
MARCH 1, 2023
Bicyclic structures containing five membered rings such as indoles, consisting of a six-membered benzene ring fused to a five-membered pyrrole ring, are also increasingly relevant as growing research fields such as psychedelics make use of these scaffolds, often found in natural products. 2017, 30, 1, 13–37 [link] 2a Drug Metab.
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