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LAGA: New software for new drug design using Perturbation Theory and Machine Learning techniques
Published:
16 June 2020
by MDPI
in MOL2NET'20, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 6th ed.
congress USEDAT-06: USA-Europe Data Analysis Training Program Workshop, Bilbao, Spain-Cambridge, UK-Miami, USA, 2020
https://doi.org/10.3390/mol2net-06-06867
(registering DOI)
Abstract:
The main objective of this project is the development of a useful computational tool for future preclinical trials. The implemented model will be a PTML-LFER model, for the prediction of the pharmacological activity of a certain molecule, or list of molecules, under multiple test conditions.
Keywords: anticancer; drug design; LFER; QSAR; software
Comments on this paper
Humbert G. Díaz
4 January 2021
Programing
Can you adapt this LAGA interface for other models, such as antivirall, etc.???
Ajit Singh
13 January 2021
An excellent concept for the prediction of the pharmacological activity
Proposed model as a PTML-LFER is an excellent concept for the prediction of the pharmacological activity of a certain molecule, or list of molecules, under multiple test conditions.
It will be very much helpful in development of a useful computational tool for future preclinical trials.
The noticeable point is, it does not explain the proposed software development methodology in details. The methodology must be explained for it's proper implementation by the software developers.
Altogether, i appreciate your efforts in this paper.
It will be very much helpful in development of a useful computational tool for future preclinical trials.
The noticeable point is, it does not explain the proposed software development methodology in details. The methodology must be explained for it's proper implementation by the software developers.
Altogether, i appreciate your efforts in this paper.
Scott Brown
25 August 2021
Thanks for the post.
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