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Write a Python script that will parse PubChem to download all chemicals with given properties and run this script

There is a public website with all chemical compunds call PubChem:

[login to view URL]

We need to download information about all molecules with less than 11 atom.

It can be done in the following way:

1. Use advanced search available on the website:

[login to view URL]

and search for the following string:

((0:10[HeavyAtomCount]) AND 0:0[TotalFormalCharge]) AND 0:0[IsotopeAtomCount]

It will return the list of all compunds with less than 10 heavy atoms, but some of them are ionic compunds not molecules and some contain more than 10 atoms.

2. We need to sort the results by complexity

3. Then we need to check all the results and use two filters:

Filter A: remove compounds with more than 10 atoms in Molecular Formula

Filter B: remove compunds that contain a dot sign (".") in Canonical SMILES

4. All the components that are not removed by those filters should be collected in CSV text file that contains the following columns:

* PubChem CID

* Molecular Formula

* Canonical SMILES

* Molecular Weight

* Chemical Names

* IUPAC Name

* If 2D structure XML file is presented (yes/no)

* If 3D structure XML file is presented (yes/no)

5. For each compound that match our filters we should also download it 2D and 3D structures as XML files and place them in two folders. File names should be like "[login to view URL]" and "[login to view URL]" where 101826982 is PubChem CID of this compound

The results:

The results of this project should be

A. A ZIP archive with many xml files with 2D and 3D structures of the and one [login to view URL] file.

B. Python script(s) that generates this CSV file and download XML files

Deadline for this project: August 24th, 2017, 13:00 London time

==========================

For your information: PubChem supports API that makes this project much easier:

REST Tutorial:

[login to view URL]

REST Documentation:

[login to view URL]

Other API documentation:

[login to view URL]

List of properties:

[login to view URL]

Example how to download needed properties of several substances:

[login to view URL],129251212,5460638,5460696/property/MolecularFormula,MolecularWeight,CanonicalSMILES,Complexity,Charge,HeavyAtomCount,IsotopeAtomCount/XML

Python wrapper for PubChem:

[login to view URL]

Kemahiran: Python

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Tentang Majikan:
( 59 ulasan ) Amersham, United Kingdom

ID Projek: #14952675

23 pekerja bebas membida secara purata $194 untuk pekerjaan ini

gangabass

First of all thank you for excellent description! I can create Python scraper and collect all data you want (including 2D and 3D files) in less than 3 days. Thanks. Roman Relevant Skills and Experience I Python deve Lagi

$170 USD dalam 3 hari
(156 Ulasan)
6.5
hunmin888

Hi, sir! I have a good skill in python programming. If you award this project to me, I'll complete it in time. Thank you in advance. Stay tuned, I'm still working on this proposal.

$250 USD dalam 3 hari
(32 Ulasan)
6.2
shadabkhan92

We are experts in software development, worked in companies like Adobe, Dell etc. Java, PHP, Python, HTML, CSS, Javascript, Selenium with Python and Java, Web Development and Web Design, Web Scraping Relevant Skills a Lagi

$155 USD dalam 3 hari
(24 Ulasan)
6.2
IMdaystar

Dear Sir ,I am interested in your job and I wish to work with you. I think you can check my profile and reviews and check me :) I have rich experience in these fields :Python, Software Architecture My account is ne Lagi

$100 USD dalam 3 hari
(6 Ulasan)
4.8
Nada100200

Hello Client, Hope you are doing well ! I have great experience of extracting information from websites . I provide best solutions at fastest speed with the cheapest cost. Your satisfaction is my only priority. I woul Lagi

$30 USD dalam 0 hari
(6 Ulasan)
4.8
$252 USD dalam 3 hari
(6 Ulasan)
4.3
kanwalrafique

I read your project brief. I can do your project by using PubChemPy wrapper of Python to search for chemicals on PubChem according to the criteria you specified and deliver a CSV file with molecular data. Relevant S Lagi

$180 USD dalam 5 hari
(10 Ulasan)
3.9
kcbStar

Hello, I am interested in this project and so wanted to discuss more about it in details. I sincerely hope that you will believe me and hire me. Thanks Relevant Skills and Experience a Proposed Milestones $155 USD - Lagi

$155 USD dalam 3 hari
(2 Ulasan)
2.8
origami07

Search Pub chem for 10 atom compounds. Filter down the results based on the specified criteria. convert to csv. Relevant Skills and Experience Python Web Automation Web Services Chemistry Software Architecture Lagi

$155 USD dalam 3 hari
(8 Ulasan)
3.3
rhythmist

Hi, I'm a professional software engineer with 4 years of experience in Python, Java, Scala. I can help you with the download of molecular data.

$110 USD dalam 3 hari
(5 Ulasan)
2.7
MetaoriginLab

Yes, I am new here, but we have been working on Python,Django,Web Crawling/Data Scraping for last 7 years. Relevant Skills and Experience We have used Flask and iFrame to achieve the desired results on Python 2 & 3. Lagi

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2.2
Ajcm623

Hi, I have a web scraping history with python. I fully undestood your userstories and I also had a look API for it. I can provide you that you want.

$150 USD dalam 2 hari
(2 Ulasan)
1.6
JASHWANTH1602

A proposal has not yet been provided

$110 USD dalam sehari
(3 Ulasan)
1.5
charlysalmu

Hi, I can extract and parse all the data you need about the chemical compounds with the specified properties, and generate the CSV and XML files. Deliver them in a ZIP, and the Python script. Relevant Skills and Expe Lagi

$150 USD dalam 3 hari
(2 Ulasan)
1.0
gchlebus

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$88 USD dalam 5 hari
(1 Ulasan)
0.6
rishabhiitbhu

I am 3rd year student of Indian Institute of Technology (BHU) Varanasi. I have good knowledge of Python and especially web scrapping in python. GitHub profile [login to view URL] Relevant Skills and Expe Lagi

$155 USD dalam 3 hari
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0.0
prashushinde9

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$257 USD dalam 10 hari
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caioelias

Parse compounds from PubChem website, filter and scrape the results to extract desired information, to be delivered in .zip and .csv files, with specific naming scheme. PubChem's APIs are available. Relevant Skills an Lagi

$222 USD dalam 3 hari
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DariaPlotnikova

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$244 USD dalam 3 hari
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0.0