ERD

Deep Bayesian Experimental Design for Drug Discovery

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

S-07-03 A snapshot of AI in predictive toxicology: explainable AI

Project: AIDD

Updated at: 01-08-2025

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Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Leveraging Quantum Mechanical Properties to Predict Solvent Effects on Large Drug-Like Molecules

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Temporal Evaluation of Uncertainty Quantification Under Distribution Shift

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

NETWORK ANALYSIS OF THE ORGANIC CHEMISTRY IN PATENTS, LITERATURE, AND PHARMACEUTICAL INDUSTRY

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Low Concentration Cell Painting Images Enable the Identification of Highly Potent Compounds

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Decoding phenotypic screening: A comparative analysis of image representations

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Accelerating the inference of string generation-based chemical reaction models for industrial applications

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Metis: a python-based user interface to collect expert feedback for generative chemistry models

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Tox24 Challenge

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Models Matter: the impact of single-step retrosynthesis on synthesis planning

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Online OCHEM multi-task model for solubility and lipophilicity prediction of platinum complexes

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Statistical approaches enabling technology-specific assay interference prediction from large screening data sets

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Multi-objective synthesis planning by means of Monte Carlo Tree search

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Atom-Level Quantum Pretraining Enhances the Spectral Perception of Molecular Graphs in Graphormer

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

CLOOME: contrastive learning unlocks bioimaging databases for queries with chemical structures

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Multi-Modal Representation learning for molecules

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Inverse mapping of quantum properties to structures for chemical space of small organic molecules

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Curating Reagents in Chemical Reaction Data with an Interactive Reagent Space Map

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Balancing Imbalanced Toxicity Models: Using MolBERT with Focal Loss

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Leveraging expert feedback to align proxy and ground truth rewards in goal-oriented molecular generation

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Introduction to the Special Issue: AI Meets Toxicology

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Molecular property prediction using pretrained-BERT and Bayesian active learning: a data-efficient approach to drug desi...

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Towards Interpretable Models of Chemist Preferences for Human-in-the-Loop Assisted Drug Discovery

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

Which modern AI methods provide accurate predictions of toxicological endpoints? Analysis of Tox24 challenge results.

Project: AIDD

Updated at: 01-08-2025

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Project acronym AIDD

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