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Molecules
Volume 28
Issue 19
10.3390/molecules28196886
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Review
Peer-Review Record

Exploring the Steps of Infrared (IR) Spectral Analysis: Pre-Processing, (Classical) Data Modelling, and Deep Learning

Molecules 2023, 28(19), 6886; https://doi.org/10.3390/molecules28196886
by Azadeh Mokari 1,2, Shuxia Guo 1 and Thomas Bocklitz 1,2,3,*
Reviewer 1:
Kuntal Chatterjee
Reviewer 2: Anonymous
Molecules 2023, 28(19), 6886; https://doi.org/10.3390/molecules28196886
Submission received: 7 August 2023 / Revised: 13 September 2023 / Accepted: 26 September 2023 / Published: 30 September 2023
(This article belongs to the Special Issue Review Papers in Analytical Chemistry)

Round 1

Reviewer 1 Report

Review Report:

In their manuscript Mokari and Bocklitz demonstrated a pedagogical review of machine learning based data processing and how this technique can be employed for IR based data analysis. With this powerful approach, complex data analysis will become much faster, reliable and thorough.

This work is important in the context of the development of large data analysis. The manuscript is well-written, insightful, and thorough. Therefore, I recommend the publication of this manuscript essentially as is without any major modifications. My comments are copied below. I use the following abbreviation, P-page number.

Comments:

1. P2-Section 1: The authors are encouraged to mention the wavenumbers for different IR regions.

2. P2-Section 1: The authors should also mention the unit of IR-intensities (km/mol) before proceeding to normalized intensities.

3. I encourage the authors to discuss the feasibility of this machine-learning based approach for high-resolution spectroscopy.

Author Response

Please see the attachment.

Author Response File: Author Response.pdf

Reviewer 2 Report

 

The basic problem with this manuscript is that it tries to cover too large area. The authors attempted to provide information both on principles and applications of various methods of data analysis. As a result, neither the principles nor the applications are described with the comprehension satisfactory for review paper. If the authors wants to keep the present form of this work, they should significantly enlarged its size. Alternatively, the may focus on a few selected methods in more comprehensive way. In the present form, this work is not suitable for publication.

No comments.

Author Response

Please see the attachment.

Author Response File: Author Response.pdf

Round 2

Reviewer 2 Report

 

The authors did an effort and significantly modify the manuscript. In the present form it is suitable for publication.

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