Drkcore

01 07 2018 chemoinformatics Tweet

Better featurizations are required

I believe better featurizations are required, but there is a limit to physiological activity prediction only from ligand information 'cause it's a molecular recognition.

MoleculeNet: A Benchmark for Molecular Machine Learning

Results for biophysical and physiological datasets are currently weaker than for other datasets, suggesting that better featurizations or more data may be required for data-driven physiology to become broadly useful.

What features are multitask modering shared in physiological activity prediction ?

Multitask modeling relies on the fact that some features have explanatory power that is shared among multiple tasks.

I'm guessing it's a liposoluble feature such as logP expressed in Hansch-Fujita equation.

About

  • もう5年目(wishlistありマス♡)
  • 最近はPythonとDeepLearning
  • 日本酒自粛中
  • ドラムンベースからミニマルまで
  • ポケモンGOゆるめ

Tag

Python Deep Learning javascript chemoinformatics Emacs sake and more...

Ad

© kzfm 2003-2021