Metabolic Stability Pharmaceuticals Research 
DrugBank
OCTOBER 17, 2024
By harnessing the vast amounts of data generated throughout the development pipeline, pharmaceutical companies can accelerate the discovery of novel therapies, optimize clinical trial design, enhance drug safety monitoring, and deliver personalized medicine, ultimately improving patient outcomes and transforming the future of healthcare.
Drug Target Review
JUNE 12, 2023
Leveraging AI-guided structure-based drug design, Insilico’s research and development team generated an impressive portfolio of over 6,000 molecules and identified three highly promising hit series. He is an adjunct professor of artificial intelligence at the Buck Institute for Research on Aging.
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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].
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. The orchids in Blanchisseuse have been particularly good this year and I’ll include some photos of them to break the text up a bit.
Practical Cheminformatics
AUGUST 3, 2023
Most pharmaceutical compounds tend to have solubilities somewhere between 1 and 500 µM. Over the last 40 years, the pharmaceutical industry has developed a wide range of invitro and invivo assays for assessing the safety of drug candidates. This is not the case for the ESOL aqueous solubility dataset in MoleculeNet.
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.
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. To overcome some of these issues, Joeres and coworkers at the Helmholtz Institute for Pharmaceutical Research Saarland developed Data Splitting Against Information Leakage (DataSAIL).
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