Drug Activity Prediction - Updated
Drug Activity Prediction - Updated
Drug Activity Prediction - Updated
Problem Statement:
Drugs are typically tiny chemical compounds that attach to a receptor's target location to
perform their desired function. Identifying and isolating the receptor to which a novel
medicine should interact is usually the first stage in drug development, followed by
testing a large number of small compounds for their capacity to bind to the target
location. Researchers must now figure out what distinguishes active (binding) molecules
from inactive (non-binding) chemicals. This information can then be used to create new
molecules that not only bind but also have all of the other features that a medication
requires (solubility, oral absorption, lack of side effects, appropriate duration of action,
toxicity, etc.).
The main goal is to allow you to develop predictive models that can determine given a
particular compound whether it is active (1) or not (0).
Approach: The classical machine learning tasks like Data Exploration, Data Cleaning,
Feature Engineering, Model Building and Model Testing. Try out different machine
learning algorithms that’s best fit for the above case.
Dataset:
Dataset Link: - Dataset
1
Project Evaluation metrics:
Code:
You are supposed to write a code in a modular fashion
Safe: It can be used without causing harm.
Testable: It can be tested at the code level.
Maintainable: It can be maintained, even as your codebase grows.
Portable: It works the same in every environment (operating system)
You have to maintain your code on GitHub.
You have to keep your GitHub repo public so that anyone can check your code.
Proper readme file you have to maintain for any project development.
You should include basic workflow and execution of the entire project in the readme
file on GitHub
Follow the coding standards: https://www.python.org/dev/peps/pep-0008/
Database:
You are supposed to use a given dataset for this project which is a Cassandra
database.
https://astra.dev/ineuron
Cloud:
You can use any cloud platform for this entire solution hosting like AWS, Azure or
GCP
API Details or User Interface:
You have to expose your complete solution as an API or try to create a user
interface for your model testing. Anything will be fine for us.
Logging:
Logging is a must for every action performed by your code use the python logging
library for this.
Ops Pipeline:
If possible, you can try to use AI ops pipeline for project delivery Ex. DVC, MLflow
, Sagemaker , Azure machine learning studio, Jenkins, Circle CI, Azure DevOps ,
TFX, Travis CI
2
Deployment:
You can host your model in the cloud platform, edge devices, or maybe local, but
with a proper justification of your system design.
Solutions Design:
You have to submit complete solution design strategies in HLD and LLD document
System Architecture:
You have to submit a system architecture design in your wireframe document and
architecture document.
Latency for model response:
You have to measure the response time of your model for a particular input of a
dataset.
Optimization of solutions:
Try to optimize your solution on code level, architecture level and mention all of
these things in your final submission.
Mention your test cases for your project.
3
Submission requirements:
High-level Document:
You have to create a high-level document design for your project. You can reference the
HLD form below the link.
Sample link:
HLD Document Link
Low-level document:
You have to create a Low-level document design for your project; you can refer to the LLD
from the below link.
Sample link
LLD Document Link
Architecture: You have to create an Architecture document design for your project;
you can refer to the Architecture from the below link.
Sample link
Architecture sample link
Wireframe: You have to create a Wireframe document design for your project; refer to
the Wireframe from the below link.
Demo link
Wireframe Document Link
Project code:
You have to submit your code GitHub repo in your dashboard when the final submission
of your project.
Demo link
Project code sample link :
4
Detail project report:
You have to create a detailed project report and submit that document as per the given
sample.
Demo link
DPR sample link