Drug Target Review

JUNE 12, 2023

The system optimised the molecules that were most likely to succeed in terms of potency, metabolic stability, synthetic accessibility, and more. The novel molecules were further ranked based on their ADME and selectivity profiles. He is an adjunct professor of artificial intelligence at the Buck Institute for Research on Aging.

Metabolic Stability 92

Metabolic Stability Clinical Trials Small Molecule Pharmacokinetics 92

Molecular Design

OCTOBER 20, 2024

Whether or not ML models ultimately prove to be fit for this purpose it is worth pointing out that many visionaries and thought leaders who tout computation as a panacea to humanity’s ills fail to recognize the complexity of biology (take a look at In The Pipeline posts from 2007 | 2015 | 2024 ).

Metabolic Stability 86

Metabolic Stability Drugs Pharmaceuticals 86

Molecular Design

MAY 11, 2019

While the Ro5 article highlighted molecular size and lipophilicity as pharmaceutical risk factors, the rule itself is actually of limited utility as a drug design tool. back in 2015 and you may find this review of that seminal contribution to the drug design literature to be informative.

Metabolic Stability 52

Metabolic Stability Pharmacokinetics Pharmaceuticals Drugs 52

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. Benjamin M. Airaksinen. Blackaby, Alastair J.

Drugs 52

Drugs Small Molecule Metabolic Stability FDA Approval 52