Add to ORKGMotivation: The development of novel compounds targeting proteins of interest is one of the most important tasks in the pharmaceutical industry. Deep generative models have been applied to targeted molecular design and have shown promising results. Recently, target-specific molecule generation has been viewed as a translation between the protein language and the chemical language. However, such a model is limited by the availability of interacting protein-ligand pairs. On the other hand, large amounts of unlabeled protein sequences and chemical compounds are available and have been used to train language models that learn useful representations. In this study, we propose exploiting pretrained biochemical language models to initialize (i.e. ...
Machine learning (ML) and Artificial Intelligence (AI) have had a renaissance during the last few ye...
The generation of molecules with desired properties has gained tremendous popularity, revolutionizin...
In <i>de novo</i> drug design, computational strategies are used to generate novel molecules with go...
This repository contains materials for the paper, Exploiting Pretrained Biochemical Language Models ...
Recent years have seen tremendous success in the design of novel drug molecules through deep generat...
Designing compounds with desired properties is a key element of the drug discovery process. However,...
The drug discovery process broadly follows the sequence of high-throughput screening, optimisation,...
In the scope of drug discovery, the molecular design aims to identify novel compounds from the chemi...
Machine learning models have found numerous successful applications in computational drug discovery....
Generative chemical language models (CLMs) can be used for de novo molecular structure generation by...
De novo design of molecules has recently enjoyed the power of generative deep neural networks. Curre...
Chemical language models enable de novo drug design without the requirement for explicit molecular c...
In de novo drug design, computational strategies are used to generate novel molecules with good affi...
Generative deep learning is accelerating de novo drug design, by allowing the generation of molecule...
Generative deep learning is accelerating de novo drug design, by allowing the generation of molecule...
Machine learning (ML) and Artificial Intelligence (AI) have had a renaissance during the last few ye...
The generation of molecules with desired properties has gained tremendous popularity, revolutionizin...
In <i>de novo</i> drug design, computational strategies are used to generate novel molecules with go...
This repository contains materials for the paper, Exploiting Pretrained Biochemical Language Models ...
Recent years have seen tremendous success in the design of novel drug molecules through deep generat...
Designing compounds with desired properties is a key element of the drug discovery process. However,...
The drug discovery process broadly follows the sequence of high-throughput screening, optimisation,...
In the scope of drug discovery, the molecular design aims to identify novel compounds from the chemi...
Machine learning models have found numerous successful applications in computational drug discovery....
Generative chemical language models (CLMs) can be used for de novo molecular structure generation by...
De novo design of molecules has recently enjoyed the power of generative deep neural networks. Curre...
Chemical language models enable de novo drug design without the requirement for explicit molecular c...
In de novo drug design, computational strategies are used to generate novel molecules with good affi...
Generative deep learning is accelerating de novo drug design, by allowing the generation of molecule...
Generative deep learning is accelerating de novo drug design, by allowing the generation of molecule...
Machine learning (ML) and Artificial Intelligence (AI) have had a renaissance during the last few ye...
The generation of molecules with desired properties has gained tremendous popularity, revolutionizin...
In <i>de novo</i> drug design, computational strategies are used to generate novel molecules with go...