9 papers · ranked by Valyu relevance
Nihal Dadheech
In our research journey, we undertook a comprehensive exploration of protein-protein interaction (PPI) prediction, with a primary focus on unraveling the intricate web of interactions involving the SARS-CoV-2 virus. Our research endeavor encompassed a multi-faceted approach that seamlessly integrated data…
Edwin Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva + 23 more
The discovery of new antimalarial medicines with novel mechanisms of action is key to combating the problem of increasing resistance to our frontline treatments. The Open Source Malaria (OSM) consortium has been developing compounds ("Series 4") that have potent activity against Plasmodium falciparum in vitro and in…
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Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and Middle East respiratory syndrome coronavirus (MERS-CoV) are two important targets in current drug discovery, mainly due to the COVID-19 pandemic and the MERS-CoV outbreaks in recent years. An important target of both SARS-CoV-2 and MERS-CoV is the main…
Fuzhan Rahmanian, Robert M. Lee, Dominik Linzner, Kathrin Michel + 4 more
Predicting and monitoring battery life early and across chemistries is a significant challenge due to the plethora of degradation paths, form factors, and electrochemical testing protocols. Existing models typically translate poorly across different electrode, electrolyte, and additive materials, mostly require a fixed…
Long Qian, Xin Lu, Parvez Haris, Jianyong Zhu + 2 more
Clinical trials are crucial for drug development, but they require significant time and financial resources. Additionally, uncertainties may arise during these trials concerning their results due to concerns surrounding effectiveness, safety, or the enrollment of participants. If robust AI (artificial intelligence)…
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Accurately modeling the dynamics of open quantum systems is critical for advancing quantum technologies, yet traditional methods often struggle with balancing accuracy and efficiency. Machine learning (ML) offers a promising alternative, particularly through recursive models that predict system evolution based on the…
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Artificial intelligence (AI) is reshaping scientific research by accelerating discovery and enabling the analysis of complex data that traditional methods struggle to handle. This review examines over 310,000 journal articles and patents from the CAS Content Collection (2015–2025), with a focus on, biomedical research…
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One aim of the international Human Proteome Organization (HUPO) Human Proteome Project (HPP) is to obtain high-confidence translation evidence for every human protein-coding gene established in its target list of 19433 entries based on the protein-coding genes from Ensembl-GENCODE. However, 76 are annotated in…
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We present an updated version of a priori computational intelligence, a methodology that integrates semi-empirical Quantum Mechanics calculations with supervised machine learning to predict optimal reaction conditions without prior extensive experimental work. First, the synergy between semi-empirical calculations and…