ERD

Expanding the chemical space using a chemical reaction knowledge graph

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Tackling assay interference associated with small molecules

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Be aware of overfitting by hyperparameter optimization!

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Current Limitations of Text-based Molecular Representations for Machine Learning in Small Molecule Drug Discovery

Project: AIDD

Updated at: 01-08-2025

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AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Model...

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound ...

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

HyperPCM: Robust Task-Conditioned Modeling of Drug–Target Interactions

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Modeling noncovalent interatomic interactions on a photonic quantum computer

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Investigations into the efficiency of computer-aided synthesis planning

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Improving route development using convergent retrosynthesis planning

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Latent-Conditioned Equivariant Diffusion for Structure-Based De Novo Ligand Generation

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Temporal Evaluation of Probability Calibration with Experimental Errors

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

A reagent-driven visual method for analyzing chemical reaction data

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Developing novel Lin28 inhibitors by computer aided drug design

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Equivariant Graph Neural Networks for Toxicity Prediction

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Uncertainty estimation with deep learning for rainfall-runoff modeling

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

Equivariant Graph Neural Networks for Toxicity Prediction

Project: AIDD

Updated at: 28-04-2024

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MC-LSTM: Mass-Conserving LSTM

Project: AIDD

Updated at: 28-04-2024

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Expressive Graph Informer Networks

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

openOCHEM consensus model wins Kaggle First EUOS/SLAS Joint Compound Solubility Challenge

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

SS1 school report

Project: AIDD

Updated at: 28-04-2024

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Modern Hopfield Networks and Attention for Immune Repertoire Classification

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

The Promise of AI for DILI Prediction

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

Web site

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

Rainfall-runoff prediction at multiple timescales with a single Long Short-Term Memory network

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

Reagent Prediction with a Molecular Transformer Improves Reaction Data Quality

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

Contrastive Learning of Image- and Structure-Based Representations in Drug Discovery

Project: AIDD

Updated at: 28-04-2024

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Project acronym AIDD

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