openmolecules.org

 
Home » DataWarrior » Cheminformatics » datawarrior descriptor literature refs (seeking literature on chemical descriptos in datawarrior )
Re: datawarrior descriptor literature refs [message #2051 is a reply to message #2050] Mon, 18 December 2023 16:02 Go to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
Hello Maxwell,

I suggest to start the literature search from two points of departure: the seminal paper about DataWarrior (2015JChemInfModel460, https://doi.org/10.1021/ci500588j) as well as the review-like «Limits of Prediction for Machine Learning in Drug Discovery» by Modest von Korff and Thomas (2022FrontPharmacol, https://doi.org/10.3389/fphar.2022.832120, open access).

Norwid

[Updated on: Mon, 18 December 2023 16:02]

Report message to a moderator

 
Read Message
Read Message
Previous Topic: peediction missing values- descriptors
Next Topic: Change default structure copy option
Goto Forum:
  


Current Time: Fri Nov 22 04:07:05 CET 2024

Total time taken to generate the page: 0.03833 seconds