I have been member of a research group in chemometrics and qualimetrics since 1988. In our opinion it is impossible to obtain a review of the whole chemometrics, as Giancaria Alberti has written the chemometrics is a chemical science, which uses logical, computational, statistical and data analysis methods to extract information of the chemical data. As consequence the task to define the content of the chemometrics by reviewing papers is as difficult as trying to define the physics by looking papers. The book which has the better compendium of methods and application in chemometrics and most updated (with lots of references), is the one cited by Juan Fernandez Pierna (http://www.sciencedirect.com/science/referenceworks/9780444527011).

Of course is essential to read the classical books of Kowalski, Massart, Martens, Naes, Forina, Bro and others.

Dear Nguyen Nhung,

I do not thing so! As you has mention, you can find information about this techniques in scientific papers, books/monographs such as:

- Malinowski’s "Factor Analysis in Chemistry";

- Sharaf, Illman and Kowalski’s "Chemometrics";

- Massart et al. "Chemometrics: a textbook".

Regards and good luck.

Thanks you so much. I am markedly interested in this topic and I am going to set up a review research about these methods' application in pharmaceutical analysis. I have been searching on the Internet for a long time and I haven't seen any compendial documents. If any, the documents will support significantly for the aim of my research.

Dear Nguyen Nhung,

chemometrics is the science of extracting information from chemical systems by data-driven means. It is a highly interfacial discipline, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering.

It is a rather difficult subjet to study without the help of experts. A professor I know, Riccardo Leardi, has developed algorithms and chemometric software. He also provides consulting services. I leave you the link to the website of prof. Leardi: http://www.dictfa.unige.it/chimica-analitica/51-riccardo-leardi.html.

Good luck!

best wishes

Dear Nguyen Nhung,

You are welcome! You have had a good idea, because chemometrics is very importante when we have a lot of data, which is the case of metabolomics best.Therefore, I believe that a good review can help these 'emergent' omics science.

I wish you all the best. Please, when you publish the review, let us know.

Good Luck!

Regards.

Chemometric techniques are different. You cannot find them as recommended practice in pharmaceutical industry.. But you can find techniques as mutivariate curve resolution alternative least squares, principal component analysis, and so on.

Hi! A more recent compendial book about Chemometrics: http://www.sciencedirect.com/science/referenceworks/9780444527011

Enjoy the lecture!

I have been member of a research group in chemometrics and qualimetrics since 1988. In our opinion it is impossible to obtain a review of the whole chemometrics, as Giancaria Alberti has written the chemometrics is a chemical science, which uses logical, computational, statistical and data analysis methods to extract information of the chemical data. As consequence the task to define the content of the chemometrics by reviewing papers is as difficult as trying to define the physics by looking papers. The book which has the better compendium of methods and application in chemometrics and most updated (with lots of references), is the one cited by Juan Fernandez Pierna (http://www.sciencedirect.com/science/referenceworks/9780444527011).

Of course is essential to read the classical books of Kowalski, Massart, Martens, Naes, Forina, Bro and others.

General Chapter from the USP (United States Pharmacopeia) has some recomendation about the use of regression methods associated to NIR for pharmaceutical Quality Control.

Dear Károly:

Maybe, it do not exist sufficient literature about pharmaceutical compounds, but as Giancarla mentioned, I think it is more important to take help of experts to use the chemometrics techioques. Personally, I collaborated with Dr. José Manuel Andrade Gardaexpert of the Coruña, Spain, from whom I have receveid a lot of help in this field.

Dear Nguyen Nhung,

There are ASTM guidelines for the application of multivariate analysis and other chemometric techniques in the pharmaceutical industry. One reference to a current work is http://www.astm.org/DATABASE.CART/WORKITEMS/WK36058.htm.

Hi:

Another interesting book on chemometrics - Applied Chemometrics for Scientists

Richard G. Brereton

Hi, everybody

Thanks for all your comment. Honestly, I have known about this method since I did my bachelor's final thesis. From the first time, I have had markedly interest with this technique and I want to do a research about it. I am very glad to recieve many pieces of advice from you. Your comments support me so much. I will try to do the research harder and when I have something that I do not understand, I will ask you.

Chemoometrics is slowly entering into the Pharmaceutical regulatory arena. However, regulators see it as a big "black box", where you must have many things under too strict control for results to be completely valid. Quantitative methods will most surely enter pharmacopoeias through popularization of NIR measurements (but you will need some more time to see this); however, chemometric strategies such as experimental design have been encouraged by regulatory agencies like FDA since the 1990's. See for example method validation options.

A good book on Chemometrics- I like and use it a lot !

Practical guide to chemometrics by Paul Gemperline.

ISBN1-57444-783-1

I would recommend contacting the Center for Process Analytical Chemistry at the University of Washington, or IFPAC the international forum for process analytical chemistry (IFPAC). These two organization have been working with various groups from the FDA to introduce chemometrics over the last 10 years.

Mr. Adam. Dio you know who is the professor?please, give me the information

The authorities are beginning to be more concerned with multivariate methods, for example the Quality by Design initiative in the ICH Q8 guideline talking about design space using experimental design and PAT, Process Analytical Technologies. Also the FDA guideline on process validation are moving in similar direction talking about statistical process control and continuous process verification.

Dear all,

1. There are some groups of researches in this field, e.g., Egypt , H. M. Lotfy, M. M. Issa (Gaza), A. Afkhami (Iran), N. M. Bhatt (India), A. Pomerantsev & Radionova (Russia)

2. Very few chemometrics studies of pharmaceuticals are presented at international conferences.

3. Maybe it's time to create an International Chemometrics Society which will include

the pharmaceutical group ?