Skip to main content
padlock icon - secure page this page is secure

Perturbation Theory Machine Learning Models: Theory, Regulatory Issues, and Applications to Organic Synthesis, Medicinal Chemistry, Protein Research, and Technology

Buy Article:

$68.00 + tax (Refund Policy)

Machine Learning (ML) models are very useful to predict physicochemical properties of small organic molecules, proteins, proteomes, and complex systems. These methods may be useful to reduce the cost of research in terms of materials resources, time, and laboratory animal sacrifice. Recently different authors have reported Perturbation Theory (PT) methods combined with ML to obtain PTML (PT + ML) models. They have applied PTML models to the study of different biological systems and in technology as well. Here, we present one state-of- the-art review about the different applications of PTML models in Organic Synthesis, Medicinal Chemistry, Protein Research, and Technology. In this work, we also embrace an overview of regulatory issues for acceptance and validation of both: the Cheminformatics models, and the characterization of new Biomaterials. This is a main question in order to make scientific result self for humans and environment.
No References
No Citations
No Supplementary Data
No Article Media
No Metrics

Keywords: Carbolithiations; Drug Discovery; Machine Learning; New Materials; OECD; Organic synthesis; Perturbation theory; Protein Targets; REACH; Regulatory issues

Document Type: Review Article

Publication date: May 1, 2018

This article was made available online on August 28, 2018 as a Fast Track article with title: "Perturbation Theory Machine Learning Models: Theory, Regulatory Issues, and Applications to Organic Synthesis, Medicinal Chemistry, Protein Research, and Technology".

More about this publication?
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
X
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more