Giter Site home page Giter Site logo

Divya Karade

I'm an AI Researcher in Drug Discovery & I enjoy solving problems with an emphasis on Structure-Based and Ligand-Based Drug Design. I transform complex data into understanding, using computational tools, ML algorithms, by developing web-app and also helping others to do the same.

Connect with me on these platforms:





Divya's github stats

ย ย  Top Langs



Portfolio-DivyaKarade Google-Scholar-DivyaKarade ORCiD-DivyaKarade GitHub Follow GitHub User's stars Twitter Follow YouTube Channel Subscribers YouTube Channel Views

Divya Karade's Projects

autokeras-regression icon autokeras-regression

AutoKeras is an open-source library for performing AutoML for deep learning models based on Keras.In this video, I'll show you how you can use AutoKeras for Regression.

deep-learning-classification-based-model-for-screening-compounds-with-herg-inhibitory-activity icon deep-learning-classification-based-model-for-screening-compounds-with-herg-inhibitory-activity

Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicity) and using the model to screen CAS antiviral database to identify compounds with cardiotoxicity potential. The data is derived from "Drug Discovery Hackathon 2020: PS ID: DDT2-13" (https://innovateindia.mygov.in/ddh2020/problem-statements/) Details related to the project can also be derived from: (https://youtu.be/7tqaPmYQmCM) Note: The solution for the above problem statement is solved with Deep learning classification based model instead of linear discriminant analysis model as written in the problem statement. Details of the project: In silico prediction of cardiotoxicity with high sensitivity and specificity for potential drug molecules would be of immense value. Hence, building a classification-based machine learning models, capable of efficiently predicting cardiotoxicity will be critical. A data set of diverse pharmaceutical compounds with hERG channel inhibitory activity (blocker/non-blocker) is provided. The SMILES notations of all compounds are given. The set of compounds divided into a training set and a test set using 70:30 ratios. Simple, reproducible and easily transferable classification models developed from the training set compounds using 2D descriptors. The models were validated based on the test set compounds. The models is having the following quality: Training Set: ROC AUC for training set: 0.977280 Classification accuracy for training set: 0.986058 Precision for training set: 0.993124 Sensitivity/Recall for training set: 0.990235 F1 score for training set: 0.991677 Confusion matrix: [[ 892 33] [ 47 4766]] Test set: ROC AUC for test set: 0.649767 Classification accuracy for test set: 0.813670 Precision for test set: 0.883061 Sensitivity/Recall for test set: 0.990235 F1 score for test set: 0.889050 Confusion matrix: [[ 165 243] [ 215 1835]] The best model was also used to classify CAS antiviral database compounds for hERG channel inhibitory activity and a list of compounds with cardiotoxicity potential was being generated in the form of .csv file.

drug2ways icon drug2ways

A Python package for drug discovery by analyzing causal paths on multiscale networks

ml-opt-app icon ml-opt-app

Machine Learning Hyperparameter Optimizer App (Streamlit + Scikit-learn + Python)

omiclearn icon omiclearn

๐Ÿงช๐Ÿ–ฅ Transparent exploration of machine learning for biomarker discovery from proteomics and omics data

visitor-badge icon visitor-badge

A badge generator service to count visitors of your markdown file.

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.