openmolecules.org Forum: Functionality » Functionality request: MPO score

Home » DataWarrior » Functionality » Functionality request: MPO score

Wed, 29 April 2020 00:57

mvamos
Messages: 24
Registered: January 2015
Location: US

Junior Member

Thanks!
Wanted to update this posting with an improved CNS-related score: BBB Score. Apparently this one is better at predicting brain penetration.

BBB Score paper: https://doi.org/10.1021/acs.jmedchem.9b01220
A Vortex script to calculate the Blood-Brain Barrier (BBB) SCORE: https://www.macinchem.org/reviews/vortex/tut48/scripting_vor tex48.php

[Updated on: Wed, 29 April 2020 00:57]

		Functionality request: MPO score By: mvamos on Thu, 19 December 2019 21:19
		Re: Functionality request: MPO score By: thomas on Sun, 29 December 2019 15:09
		Re: Functionality request: MPO score By: mvamos on Wed, 29 April 2020 00:57
		Re: Functionality request: MPO score By: thomas on Sun, 10 May 2020 20:48
		Re: Functionality request: MPO score By: mcmc on Thu, 17 September 2020 17:59
		Re: Functionality request: MPO score By: timritchie on Mon, 21 February 2022 13:30
		Re: Functionality request: MPO score By: mcmc on Wed, 23 February 2022 10:39
		Re: BBB Score in DataWarrior. By: timritchie on Thu, 17 March 2022 13:28

Previous Topic:	Opening a .csv file
Next Topic:	How to perform general R group searches in DW

Goto Forum:

] [

]

Current Time: Fri Nov 22 06:55:05 CET 2024

Total time taken to generate the page: 0.04027 seconds