Utilizing graph machine learning within drug discovery and development

T Gaudelet, B Day, AR Jamasb, J Soman… - Briefings in …, 2021 - academic.oup.com
Graph machine learning (GML) is receiving growing interest within the pharmaceutical and
biotechnology industries for its ability to model biomolecular structures, the functional …

Machine learning methods, databases and tools for drug combination prediction

L Wu, Y Wen, D Leng, Q Zhang, C Dai… - Briefings in …, 2022 - academic.oup.com
Combination therapy has shown an obvious efficacy on complex diseases and can greatly
reduce the development of drug resistance. However, even with high-throughput screens …

[HTML][HTML] Artificial intelligence foundation for therapeutic science

K Huang, T Fu, W Gao, Y Zhao, Y Roohani… - Nature chemical …, 2022 - nature.com
Artificial intelligence (AI) is poised to transform therapeutic science. Therapeutics Data
Commons is an initiative to access and evaluate AI capability across therapeutic modalities …

SynergyFinder plus: toward better interpretation and annotation of drug combination screening datasets

S Zheng, W Wang, J Aldahdooh… - Genomics …, 2022 - academic.oup.com
Combinatorial therapies have been recently proposed to improve the efficacy of anticancer
treatment. The SynergyFinder R package is a software used to analyze pre-clinical drug …

Therapeutics data commons: Machine learning datasets and tasks for drug discovery and development

K Huang, T Fu, W Gao, Y Zhao, Y Roohani… - arXiv preprint arXiv …, 2021 - arxiv.org
Therapeutics machine learning is an emerging field with incredible opportunities for
innovatiaon and impact. However, advancement in this field requires formulation of …

CancerGPT for few shot drug pair synergy prediction using large pretrained language models

T Li, S Shetty, A Kamath, A Jaiswal, X Jiang… - NPJ Digital …, 2024 - nature.com
Large language models (LLMs) have been shown to have significant potential in few-shot
learning across various fields, even with minimal training data. However, their ability to …

CellMiner Cross-Database (CellMinerCDB) version 1.2: Exploration of patient-derived cancer cell line pharmacogenomics

A Luna, F Elloumi, S Varma, Y Wang… - Nucleic acids …, 2021 - academic.oup.com
Abstract CellMiner Cross-Database (CellMinerCDB, discover. nci. nih. gov/cellminercdb)
allows integration and analysis of molecular and pharmacological data within and across …

Graph-based prediction of protein-protein interactions with attributed signed graph embedding

F Yang, K Fan, D Song, H Lin - BMC bioinformatics, 2020 - Springer
Abstract Background Protein-protein interactions (PPIs) are central to many biological
processes. Considering that the experimental methods for identifying PPIs are time …

DrugCombDB: a comprehensive database of drug combinations toward the discovery of combinatorial therapy

H Liu, W Zhang, B Zou, J Wang, Y Deng… - Nucleic acids …, 2020 - academic.oup.com
Drug combinations have demonstrated high efficacy and low adverse side effects compared
to single drug administration in cancer therapies and thus have drawn intensive attention …

Comparative analysis of molecular fingerprints in prediction of drug combination effects

B Zagidullin, Z Wang, Y Guan… - Briefings in …, 2021 - academic.oup.com
Application of machine and deep learning methods in drug discovery and cancer research
has gained a considerable amount of attention in the past years. As the field grows, it …