Cheminformatics career what language to learn first?

In summary, when it comes to learning languages for cheminformatics, it is not a straightforward question. The most popular languages in the field currently are Python and R, but this can vary depending on specialization. Other commonly used languages include C, C++, and various database languages such as SQL and NoSQL. However, it is important to also have a strong understanding of algorithms and the ability to program in parallel, regardless of the specific language chosen. It is also important to keep in mind that the popularity of languages can change over time, so staying updated on current trends and developments is key.
  • #1
Loststudent22
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I'm a math and chemistry double major and hope to go to grad school in cheminformatics, my eventual goal would be to work as a data scientist for a drug company. My question is what languages should I learn first? The CS class I need to take for my math major is C++ but I'm not sure if this is the best to learn first. Learning programming online seems easier with lots of resources so I'm curious what I need to learn.

This can be applied to bioinformatics or other data science related career. I'm sure the languages needed in those fields would be useful for cheminformatics also.

Thanks for any advice.
 
  • #3
Loststudent22 said:
I'm a math and chemistry double major and hope to go to grad school in cheminformatics, my eventual goal would be to work as a data scientist for a drug company. My question is what languages should I learn first?
Thanks for any advice.

Check out David Wild's learncheminformatics.com

@eshuang Enoch Huang PhD on Twitter works in the area of cheminformatics. He's actually at a pharmaceutical company.

Check out Sean Ekin's site too. He does discovery work on drugs for rare diseases, amongst other things. He's on Twitter and Linked In. He also edited an academic book on the topic. Your library may have a copy or be able to pull one in if they don't.

Sean, Enoch and David have been pushing information my way as I've been asking for information. It's a specialized field so connecting with those who currently work in it helps.

I'm checking the field out as I've been working as a chemist for over 20 years and my company sold my business unit. Due to specialization in flavor design, I have to move to places I don't want to love or change careers. I'm testing career change that uses my breadth of knowledge and experience.

I'm taking Java this semester while I am still working. What languages do you need? Don't know. David, Sean and Enoch may be able to make suggestions.
 
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  • #4
So when it comes to learning languages, it isn't a straight forward question. Just to give you context, I am currently a data scientist but I came from a statistics background. In my group, the most popular languages are Python and R and that seems to be generally true for most data science groups I meet. However, within specializations there are deviations. Groups that tend to do a lot of web scraping may know ruby. My group which works with large scale production models write in Scala. We also know java because we all happen to originally write map reduce when pig and hive were terrible. Speaking of which, pig and hive are also pretty common.

With all that said though, who knows what will be popular by the time you finish your degree. When I was finishing my degree scala existed but it wasn't a big data language per se, but then comes scalding and scala became big.

So in short, Python, C, C++, R and hive/pig/sql/nosql are probably the most common. More importantly though is understanding algorithms and the ability to program in parallel regardless of the language you pick.
 
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What is Cheminformatics and why is it important?

Cheminformatics is a field that combines chemistry, computer science, and information technology to analyze and manage chemical data. It is important because it allows scientists to efficiently store, search, and analyze large amounts of chemical data, which can lead to new discoveries and advancements in the field of chemistry.

What skills are needed for a career in Cheminformatics?

Some essential skills for a career in Cheminformatics include a strong understanding of chemistry, computer programming, data analysis and visualization, and knowledge of cheminformatics software and databases. Good communication and problem-solving skills are also important.

What programming language should I learn first for a career in Cheminformatics?

The most commonly used programming language in Cheminformatics is Python. Other commonly used languages include R, Java, and C++. It is recommended to start with Python as it is relatively easy to learn and has a wide range of applications in Cheminformatics.

Are there any specific software or databases that are important to learn for a Cheminformatics career?

Yes, there are several software and databases that are commonly used in Cheminformatics, such as ChemDraw, ChemSpider, and PubChem. It is important to have a basic understanding of these tools and their functions, as they are essential for storing, searching, and analyzing chemical data.

What are some potential career paths in Cheminformatics?

Careers in Cheminformatics can range from research and development in the pharmaceutical industry to data analysis and management in academic and government settings. Other potential career paths include working as a consultant, software developer, or data scientist in the field of chemistry.

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