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Diversity oriented Deep Reinforcement Learning for targeted molecule generation

Journal of cheminformatics, 2021-03, Vol.13 (1), p.21-21, Article 21

2021

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Computational Discovery of Putative Leads for Drug Repositioning through Drug-Target Interaction Prediction

PLoS computational biology, 2016-11, Vol.12 (11), p.e1005219-e1005219

2016

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Explainable deep drug–target representations for binding affinity prediction

BMC bioinformatics, 2022-06, Vol.23 (1), p.1-237, Article 237

2022

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Detecting outliers in case-control cohorts for improving deep learning networks on Schizophrenia prediction

Journal of integrative bioinformatics, 2024-08, Vol.21 (2), p.67-76

2024

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Combining graph neural networks and transformers for few-shot nuclear receptor binding activity prediction

Journal of cheminformatics, 2024-09, Vol.16 (1), p.109-19, Article 109

2024

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The Road to Personalized Medicine in Alzheimer's Disease: The Use of Artificial Intelligence

Biomedicines, 2022-01, Vol.10 (2), p.315

2022

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Multivariate Data Exploration Through Coordinated Views

IEEE access, 2022, Vol.10, p.78788-78817

2022

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Designing optimized drug candidates with Generative Adversarial Network

Journal of cheminformatics, 2022-06, Vol.14 (1), p.40-40, Article 40

2022

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From protein-protein interactions to rational drug design: are computational methods up to the challenge?

Current topics in medicinal chemistry, 2013-03, Vol.13 (5), p.602-618

2013

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Enhancing schizophrenia phenotype prediction from genotype data through knowledge-driven deep neural network models

Genomics (San Diego, Calif.), 2024-09, Vol.116 (5), p.110910, Article 110910

2024

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Concept-based query expansion for retrieving gene related publications from MEDLINE

BMC bioinformatics, 2010-04, Vol.11 (1), p.212-212, Article 212

2010

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Few-shot learning via graph embeddings with convolutional networks for low-data molecular property prediction

Neural computing & applications, 2023-06, Vol.35 (18), p.13167-13185

2023

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Correction to: Designing optimized drug candidates with Generative Adversarial Network

Journal of cheminformatics, 2022-08, Vol.14 (1), p.53-53, Article 53

2022

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Computational prediction of the human-microbial oral interactome

BMC systems biology, 2014-02, Vol.8 (1), p.24-24, Article 24

2014

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Drug-Target Interaction Prediction: End-to-End Deep Learning Approach

IEEE/ACM transactions on computational biology and bioinformatics, 2021-11, Vol.18 (6), p.2364-2374

2021

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Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms

Briefings in bioinformatics, 2023-09, Vol.24 (6)

2023

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Predicting drug activity against cancer through genomic profiles and SMILES

Artificial intelligence in medicine, 2024-04, Vol.150, p.102820, Article 102820

2024

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A Hybrid GNN Approach for Improved Molecular Property Prediction

Journal of computational biology, 2024-07

2024

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CroP—Coordinated Panel visualization for biological networks analysis

Bioinformatics, 2020-02, Vol.36 (4), p.1298-1299

2020

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DTITR: End-to-end drug–target binding affinity prediction with transformers

Computers in biology and medicine, 2022-08, Vol.147, p.105772-105772, Article 105772

2022

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Interactive and coordinated visualization approaches for biological data analysis

Briefings in bioinformatics, 2019-07, Vol.20 (4), p.1513-1523

2019

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Artificial intelligence for prediction of biological activities and generation of molecular hits using stereochemical information

Journal of computer-aided molecular design, 2023-12, Vol.37 (12), p.791-806

2023

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Deep generative model for therapeutic targets using transcriptomic disease-associated data—USP7 case study

Briefings in bioinformatics, 2022-07, Vol.23 (4)

2022

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GeneBrowser 2: an application to explore and identify common biological traits in a set of genes

BMC bioinformatics, 2010-07, Vol.11 (1), p.389-389, Article 389

2010

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On the Quantization of Recurrent Neural Networks for Smiles Generation

ICASSP 2023 - 2023 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2023, p.1-5

2023

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Diversity oriented Deep Reinforcement Learning for targeted molecule generation

Computational Discovery of Putative Leads for Drug Repositioning through Drug-Target Interaction Prediction

Explainable deep drug–target representations for binding affinity prediction

Detecting outliers in case-control cohorts for improving deep learning networks on Schizophrenia prediction

Combining graph neural networks and transformers for few-shot nuclear receptor binding activity prediction

The Road to Personalized Medicine in Alzheimer's Disease: The Use of Artificial Intelligence

Multivariate Data Exploration Through Coordinated Views

Designing optimized drug candidates with Generative Adversarial Network

From protein-protein interactions to rational drug design: are computational methods up to the challenge?

Enhancing schizophrenia phenotype prediction from genotype data through knowledge-driven deep neural network models

Concept-based query expansion for retrieving gene related publications from MEDLINE

Few-shot learning via graph embeddings with convolutional networks for low-data molecular property prediction

Correction to: Designing optimized drug candidates with Generative Adversarial Network

Computational prediction of the human-microbial oral interactome

Drug-Target Interaction Prediction: End-to-End Deep Learning Approach

Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms

Predicting drug activity against cancer through genomic profiles and SMILES

A Hybrid GNN Approach for Improved Molecular Property Prediction

CroP—Coordinated Panel visualization for biological networks analysis

DTITR: End-to-end drug–target binding affinity prediction with transformers

Interactive and coordinated visualization approaches for biological data analysis

Artificial intelligence for prediction of biological activities and generation of molecular hits using stereochemical information

Deep generative model for therapeutic targets using transcriptomic disease-associated data—USP7 case study

GeneBrowser 2: an application to explore and identify common biological traits in a set of genes

On the Quantization of Recurrent Neural Networks for Smiles Generation

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