#logP

Peter Kenny

@pwk2024.bsky.social

9 months ago

Thinking About Aqueous Solvation Given that it was International Women's Day yesterday, I'll open the the post (and blogging for 2025) with a photo of a gravestone at St Jam...

Reposting some thoughts on alkane/water #logP and aqueous solvation #PhysChem #MedChem #cheminformatics #chemsky 🧪
fbdd-lit.blogspot.com/2025/03/thin...

Peter Kenny

@pwk2024.bsky.social

1 year ago

To kick off blogging for 2025 here is a post on aqueous #solvation and alkane/water #logP #PhysChem #CompChem #cheminformatics #MedChem #DrugDesign #DrugDiscovery #ADME #chemsky 🧪
fbdd-lit.blogspot.com/2025/03/thin...

Peter Kenny

@pwk2024.bsky.social

1 year ago

Chromatographic Determination of Permeability-Relevant Lipophilicity Facilitates Rapid Analysis of Macrocyclic Peptide Scaffolds Hydrocarbon-determined shake-flask measurements have demonstrated great utility for optimizing lipophilicity during early drug discovery. Alternatively, chromatographic methods confer reduced experime...

Koch et al (2024) Chromatographic Determination of Permeability-Relevant #Lipophilicity Facilitates Rapid Analysis of #Macrocyclic #Peptide Scaffolds. J Med Chem ASAP #logP #permeability #ADME #DrugDesign #PhysChem #AnalChem #OpenAccess #chemsky 🧪
doi.org/10.1021/acs....

Peter Kenny

@pwk2024.bsky.social

1 year ago

Enjoyed presenting ‘Hydrogen-Bond Donor-Acceptor Asymmetries in #DrugDesign’ at Exscientia yesterday
#cheminformatics #PhysChem #logP #chemsky🧪
doi.org/10.6084/m9.f...

Peter Kenny

@pwk2024.bsky.social

1 year ago

A Nobel for property-based drug design? [This post was updated on 04-Aug-2024. I thank Tim Ritchie (see RM2009 | RM2014 ) for bringing  YG2003 (Prediction of Aqueous Solubility o...

Re-posting review of JMC Editorial (Property-Based #DrugDesign Merits a Nobel Prize) DOI: 10.1021/acs.jmedchem.4c01345 (please read article before my review) #DrugDiscovery #MedChem #PhysChem #cheminformatics #Ro5 #LipE #LLE #Fsp3 #logP #logD #metrics #chemsky 🧪
fbdd-lit.blogspot.com/2024/07/a-no...

Peter Kenny

@pwk2024.bsky.social

1 year ago

A time and place for Nature in drug discovery? I’ll be reviewing Y2022 (The Time and Place for Nature in Drug Discovery) in this post and stating my position on natural products in moder...

Reposting my review of Young et al (2022) The Time and Place for Nature in Drug Discovery. JACS Au 2:2400–2416 DOI: 10.1021/jacsau.2c00415 (best to read article before reading review) #MedChem #cheminformatics #logP #logD #DrugDiscovery #DrugDesign #chemsky 🧪
fbdd-lit.blogspot.com/2024/05/a-ti...