extracting highly similar proteins from a protein databases - bioinformatics

How can I get from the PDB database highly highly similar structures?
Lets say 98% or higher sequence similar structures?

If you have a particular protein you are interested in, you should first create a homology model to search through the database for similar proteins. After doing this you can apply more stringent criteria to get results which are highly similar. Check out Swiss Model to do this. http://swissmodel.expasy.org/

You can do a BLAST search (http://blast.ncbi.nlm.nih.gov/Blast.cgi) for your sequence, specifying the Protein Data Bank as the database you are searching.

Related

What matching algorithm could I use?

I would need some help because I don't know what algorithm i could use for the following (I use python) :
Steve is 25 and he buys everyday orange juice
Maria is 23 and she likes to buy smoothies
Steve & Maria tastes are pretty much the same.
Juan is 16 and he only drinks sodas
Juan tastes are not the same as Steve and Maria.
====================================================
I would like to use a matching algorithm that will detect the users who have the same drink preference and a close age. To continue with the example, Steve and Maria would be matched together but not Juan. Which one should I use ?
I agree with #klutt that your task is pretty vague. There are two approaches that come to mind, but not knowing more details about your problem does limit the details I can provide in my answer that would help you. I am interpreting the question as if you are taking in raw text and might want to process more sentences that have very similar semantic and syntactical structure.
An algorithmic approach:
Assuming that your word choices are static in their semantic meaning (Maria is 23 ... Steve is 25), we can parse each sentence and identify tokens like is or and or same and essentially perform lexical analysis on the text... from here, you could continue thinking about how you would go about matching and so forth... but this is rather complicated...
Neural Network approach:
If you are taking in raw text in the form of sentences, it's a problem that's not straight forward to solve using a top-down algorithmic approach.
You could take an approach with neural networks that trains a model to solve your problem, but then again what you seem to be asking is quite complex since there are multiple "facts" within each sentence that are not semantically related. For example, your second sentence identifies that Maria is 23 but at the end of that sentence there is a comparison between Steve and Maria. And your first sentence only identifies Steve as 25.
Even if you chunk raw text into sentences, you would have to have a very fine tuned neural network architecture and a lot of training data to get remotely close to your goal.
Now, both of those solutions are very complex... but if you wanted to create an application that collects this data (via a form or prompt) and puts it into a structured format (like a json or xml object) to organize and store the data in memory (perhaps writing out to a database or file for persistent storage), that might be a good route to go down.
This can serve as a good lesson in how to think about data as well. It is one thing if you have a pool of thousands of sentences, just raw data that you need to organize for quantitative purposes (classic qualitative -> quantitative problems). It is another thing if you are going to be collecting this data. If you are going to be collecting data, having a program that collects and organizes names, ages, and drink preferences (and then organizes that data within certain data structures), then we can talk about matching algorithms.
I will also add here that if you do have structured data, Collaborative filtering (mentioned by Shridhar) is a great starting place.
Collaborative filtering best suits your needs.
In the newer, narrower sense, collaborative filtering is a method of
making automatic predictions (filtering) about the interests of a user
by collecting preferences or taste information from many users
(collaborating). The underlying assumption of the collaborative
filtering approach is that if a person A has the same opinion as a
person B on an issue, A is more likely to have B's opinion on a
different issue than that of a randomly chosen person. For example, a
collaborative filtering recommendation system for television tastes
could make predictions about which television show a user should like
given a partial list of that user's tastes (likes or dislikes).[3]
Note that these predictions are specific to the user, but use
information gleaned from many users. This differs from the simpler
approach of giving an average (non-specific) score for each item of
interest, for example based on its number of votes.

developing a db schema for efficient searching

I want to implement a search similar to as seen in http://maps.google.com/. If I type a name of place or something i can see matching places. I know it uses AJAX.
But the major concern is fast retrieval of matching data from the database in quick time, as the user can type in almost anything. He can type a name of popular shop or something , or a name of a place ,or a shop followed by place name.
How can I design a database structure to make such a search? I just need pointers.
So, any pointers about search algorithms?
There's a whole field called spatial databases, or GIS (geospatial INformation services). Some major players are
Oracle Spatial
PostGIS
ESRI
Mapinfo
As for data structures k-d tree's are the typical spatial data structure. Lecture 3 here http://ocw.mit.edu/courses/electrical-engineering-and-computer-science/6-851-advanced-data-structures-spring-2010/lecture-notes/ describes k-d trees nicely if briefly
hth

Can anyone point me toward a content relevance algorithm?

A new project with some interesting requirements has arrived on my desk. I need to develop a searchable directory of businesses, with a focus on delivering relevant results based on arbitrary search queries. The businesses can be of any niche; there's no one area that is more represented than another.
When googling for things like "search algorithm" or "content relevance algorithm," all I get are references to Google's "Mystical Algorithm of the Old Gods" and SEO firms.
Does the relevance value of MySQL's full text Match() function have what it takes for the task? I've never used it, but I'm definitely going to do some testing. Also, since this will largely be a human edited directory, I can assume that we can add weighted factors like tagging and categories. What would be a good way to combine these factors with MySQL's Match() relevancy?
I'm also open to ideas that I've not discussed here.
For an example of information retrieval based techniques lookup TF-IDF or BM25.
For machine learning based techniques, lookup RankNet and its variants from MSR.
If you have hand edited data, have a look at Oracle text search. In one of my previous projects we had some good results.
I was not directly involved in the database setups, but I know that the results were very welcome. (Before this they had just keyword based search).
Use a search engine like Solr to index the data. You can still use MySql to hold the data, but for searches use a search engine.

Ad Hoc Reports Hadoop

I want to allow people to put in simple text search terms, run a pig job (if that's best? it's what I know best) and output the results (the tsv file results?) so I can show them in a web interface.
Is there anything that approaches this problem?
Anything known to link a few disjointed pieces of the flow I am going for, together?
Thanks
Why don't you index the docs into Lucene or Solr? Then you can do text search in real-time. Hadoop is designed for batch oriented processes, which doesn't seem like what you want in this case.
Well, it depends on your project's requirements. Does it need low-latency, and how complex is the ad hoc search. Well I think hbase+pig might be a comprised solution. hbase can be used for search real-time search purpose (although its search function is not so powerful than RDBMS) and pig for batch_processing of large amount for data.

Search ranking/relevance algorithms

When developing a database of articles in a Knowledge Base (for example) - what are the best ways to sort and display the most relevant answers to a users' question?
Would you use additional data such as keyword weighting based on whether previous users found the article of help, or do you find a simple keyword matching algorithm to be sufficient?
Perhaps the easiest and most naive approach that will give immediately useful results would be to implement *tf-idf:
Variations of the tf–idf weighting scheme are often used by search engines as a central tool in scoring and ranking a document's relevance given a user query. tf–idf can be successfully used for stop-words filtering in various subject fields including text summarization and classification.
In a recent related question of mine here I learned of an excellent free book on this topic which you can download or read online:
An Introduction to Information Retrieval
That's a hard question, and companies like Google are pushing a lot of efforts to address this question. Have a look at Google Enterprise Search Appliance or Exalead Enterprise Search.
Then, as a personal opinion, I don't think that any "naive" approach is going to improve much the result compared to naive keyword search and ordering by the number of views on the documents.
If you have the possibility to expose your knowledge base to the web, then, just do it, and let your favorite search engine handles the search for you.
I think the angle here is not the retrieval itself... its about scoring the relevence of the information retrieved (A more reactive and passive approach) which can be later used to improve the search engine.
I guess you can try -
knn on tfidf for retrieving information
Hand tagging these retrieved info a relevency score
Then regress that score to predict the score for an unknwon search result and sort it.
Just a thought...
The third point is actually based on Rocchio algorithm. You can see it here
A little more specificity of your exact problem would be good. There are a lot of different techniques that you can use. Many of these are driven by other pieces of data. You can of course use Lucene and build your own indexes. There are bindings for many languages to lucene. Moving up there is also the Solr project which is Lucene with a lot of tools and extra functionality around it. That may be more along the lines of what you are looking for.
Intent is tricky and most modern search engines rely on statistical intent to aid in the ordering of results. You can always have an is this article useful button and store the query text that leads to useful documents. You could then add a layer of information to the index to boost specific words or phrases and help them point to certain documents.
Some things to think about...How many documents? What is the average length? Are they updated frequently? What do users do with the documents? What does the spread of unique words to documents look like? (More simply is it easy to match a query with a specific document(s) based on common unique features.)
If it is on the web you can always make a google custom search engine that just searches your site although you may find this to be sub-optimal for a variety of reasons.
You can always start with a simple index and gradually make it more sophisticated by talking with users and capturing data.
keyword matching is not enough when dealing with questions, you need to understand intent, as joannes say a very hot topic in search

Resources