Re-posting review of JMC Editorial (Property-Based #DrugDesign#DrugDiscovery#MedChem#PhysChem#cheminformatics#Ro5#LipE#LLE#Fsp3#logP#logD#metrics#chemskyfbdd-lit.blogspot.com/2024/07/a-no...
[This post was updated on 04-Aug-2024. I thank Tim Ritchie (see RM2009 | RM2014 ) for bringing YG2003 (Prediction of Aqueous Solubility o...
#Fsp3#cheminformatics#MedChem#DrugDesign#DrugDiscovery#chemskydoi.org/10.1002/qsar...
Two quantitative models for the prediction of aqueous solubility of 1293 organic compounds were generated by a Multilinear Regression (MLR) analysis, and a Backpropagation (BPG) neural network. The m....
I have since learned that #Fsp3#MedChem#cheminformatics#DrugDesign#metrics#chemsky 🧪
I’ve reviewed a JMC Editorial (Property-Based #DrugDesign Merits a #Nobel Prize) DOI: 10.1021/acs.jmedchem.4c01345 & best to read article before reading my review #DrugDiscovery #MedChem #PhysChem #cheminformatics #Ro5 #LipE #LLE #Fsp3 #chemsky 🧪 fbdd-lit.blogspot.com/2024/07/a-no...
"The problems of ADME are precisely those that determine success or failure of a drug in vivo. In vitro data can give a clearer picture of t...
I’ve reviewed a JMC Editorial (Property-Based #DrugDesign#Nobel#DrugDiscovery#MedChem#PhysChem#cheminformatics#Ro5#LipE#LLE#Fsp3#chemskyfbdd-lit.blogspot.com/2024/07/a-no...
"The problems of ADME are precisely those that determine success or failure of a drug in vivo. In vitro data can give a clearer picture of t...
It’s better that people ask why you didn’t win a #Nobel#MedChem#cheminformatics#DrugDesign#DrugDiscovery#Ro5#LipE#Fsp3#chemskydoi.org/10.1021/acs....
Control of physicochemical properties is undeniably integral to contemporary #DrugDesign#MedChem#PhysChem#metrics#Ro5#LLE#LipE#Fsp3#PFI#DrugDiscovery#chemskydoi.org/10.1021/acs....
They use LE, Fsp3, Ro5, QED, PFI (maybe only at Stevenage), PAINS filters, thermodynamic signatures and off-rates so why deny the synchronously-smiling folk in HR the opportunity to enjoy some pseudoscience