ERD

Analysis of frequent hitters for screening technologies

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Periodic Reporting for period 2 - BIGCHEM (Big Data in Chemistry)

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

1st Winter school report

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Does ‘Big Data’ exist in medicinal chemistry, and if so, how can it be harnessed?

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

On the Integration of In Silico Drug Design Methods for Drug Repurposing

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Analysis of target similarity of chemical compounds

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

REINVENT 2.0 – an AI tool for de novo drug design

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Molecular de-novo design through deep reinforcement learning

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Web site and application system for fellows

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

2nd Summer school report

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Overview of strategies for data sharing

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Overview of HTS data

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Final report of the project and an overview of the awarded PhDs

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Preparation of CDPs

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical doma...

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Cartographie Topographique Générative: un outil puissant pour la visualisation, l'analyse et la modélisation de donn�...

Project: BIGCHEM

Updated at: 28-04-2024

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Transformer-CNN: Swiss knife for QSAR modeling and interpretation

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Exploration of synthetically accessible chemical space by de novo design

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Assessing the information content of structural and protein-ligand interaction representations for the classification of...

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Molecular de novo Design Through Deep Generative Models

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Automating drug discovery

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Machine Learning Methodologies for Interpretable Compound Activity Predictions

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Parallel Generative Topographic Mapping: an Efficient Approach for Big Data Handling

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Activity landscape image analysis using convolutional neural networks

Project: BIGCHEM

Updated at: 28-04-2024

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Project acronym BIGCHEM

Resources

Selected filters:

Analysis of frequent hitters for screening technologies

Periodic Reporting for period 2 - BIGCHEM (Big Data in Chemistry)

1st Winter school report

Does ‘Big Data’ exist in medicinal chemistry, and if so, how can it be harnessed?

On the Integration of In Silico Drug Design Methods for Drug Repurposing

Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective

Analysis of target similarity of chemical compounds

Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

REINVENT 2.0 – an AI tool for de novo drug design

Molecular de-novo design through deep reinforcement learning

Web site and application system for fellows

2nd Summer school report

Overview of strategies for data sharing

Overview of HTS data

Final report of the project and an overview of the awarded PhDs

Preparation of CDPs

Building attention and edge message passing neural networks for bioactivity and physical–chemical property prediction

Datasets and their influence on the development of computer assisted synthesis planning tools in the pharmaceutical doma...

SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

Cartographie Topographique Générative: un outil puissant pour la visualisation, l'analyse et la modélisation de donn�...

Transformer-CNN: Swiss knife for QSAR modeling and interpretation

Exploration of synthetically accessible chemical space by de novo design

Assessing the information content of structural and protein-ligand interaction representations for the classification of...

Molecular de novo Design Through Deep Generative Models

Direct Steering of de novo Molecular Generation using Descriptor Conditional Recurrent Neural Networks (cRNNs)

Automating drug discovery

Machine Learning Methodologies for Interpretable Compound Activity Predictions

Parallel Generative Topographic Mapping: an Efficient Approach for Big Data Handling

Activity landscape image analysis using convolutional neural networks