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Drug Discovery Hackathon 2020 (DDH2020)

Phase 1
Submission
30 November 2020

Problem Statements

Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-01

Develop a reinforcement learning-based algorithm to identify lead molecules by emulating ligand-protein interactions

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-02

Machine learning models to prioritize optimal parameters of predicted ADME and Toxicity data

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-03

Building SARS-CoV-2 Inhibitor Knowledgebase – SAVIOR

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-04

Machine intelligence design and development of main protease inhibitors drugs.

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-05

To develop a regression based QSPR model for Caco-2 cell permeability.

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-06

Predicting the biological properties of potential SARS-CoV-2 inhibitors using graph theory and machine learning

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-07

ML model to predict small molecule clinical trial success probability by phase

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-08

Matched Pair Analysis based tool to generate isosteric and bioisosteric molecular libraries

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-09

Automated Analogue library generation tool using bioisosteres

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-10

ML model for antiviral peptide predictions using Generative Adversarial Networks

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-11

Implement a framework to mine protein-ligand & protein-protein interaction networks for drug repurposing

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-12

To improve the efficiency of MOLS algorithm in terms of sampling, scoring and computational time

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-13

Developing a linear discriminant analysis 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

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Category : T2 - General Drug Discovery, Including COVID PS ID : DDT2-14

A computational pipeline to predict Drug Induced Liver Injury (DILI).

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