Zobrazeno 1 - 10
of 1 515
pro vyhledávání: '"Arany P"'
Autor:
Svensson, Emma, Friesacher, Hannah Rosa, Winiwarter, Susanne, Mervin, Lewis, Arany, Adam, Engkvist, Ola
In the early stages of drug discovery, decisions regarding which experiments to pursue can be influenced by computational models. These decisions are critical due to the time-consuming and expensive nature of the experiments. Therefore, it is becomin
Externí odkaz:
http://arxiv.org/abs/2409.04313
In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the development of new therapeutic agents. Estimating the uncertainty inher
Externí odkaz:
http://arxiv.org/abs/2407.14185
Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do not typical
Externí odkaz:
http://arxiv.org/abs/2404.01743
The MACE architecture represents the state of the art in the field of machine learning force fields for a variety of in-domain, extrapolation and low-data regime tasks. In this paper, we further evaluate MACE by fitting models for published benchmark
Externí odkaz:
http://arxiv.org/abs/2305.14247
Training object detection models usually requires instance-level annotations, such as the positions and labels of all objects present in each image. Such supervision is unfortunately not always available and, more often, only image-level information
Externí odkaz:
http://arxiv.org/abs/2303.05148
Autor:
Oldenhof, Martijn, Ács, Gergely, Pejó, Balázs, Schuffenhauer, Ansgar, Holway, Nicholas, Sturm, Noé, Dieckmann, Arne, Fortmeier, Oliver, Boniface, Eric, Mayer, Clément, Gohier, Arnaud, Schmidtke, Peter, Niwayama, Ritsuya, Kopecky, Dieter, Mervin, Lewis, Rathi, Prakash Chandra, Friedrich, Lukas, Formanek, András, Antal, Peter, Rahaman, Jordon, Zalewski, Adam, Heyndrickx, Wouter, Oluoch, Ezron, Stößel, Manuel, Vančo, Michal, Endico, David, Gelus, Fabien, de Boisfossé, Thaïs, Darbier, Adrien, Nicollet, Ashley, Blottière, Matthieu, Telenczuk, Maria, Nguyen, Van Tien, Martinez, Thibaud, Boillet, Camille, Moutet, Kelvin, Picosson, Alexandre, Gasser, Aurélien, Djafar, Inal, Simon, Antoine, Arany, Ádám, Simm, Jaak, Moreau, Yves, Engkvist, Ola, Ceulemans, Hugo, Marini, Camille, Galtier, Mathieu
To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n{\deg}831472), which was comprised of 10 pharmaceutical companies, academic research
Externí odkaz:
http://arxiv.org/abs/2210.08871
Autor:
Tasnim F. Imran, Feven Ataklte, Mahnoor Khalid, Diana Lopez, Donya Mohebali, Natalie A. Bello, J. Michael Gaziano, Luc Djousse, Zolt Arany, Marwa A. Sabe, Katharine French, Athena Poppas, Wen‐Chih Wu, Gaurav Choudhary
Publikováno v:
ESC Heart Failure, Vol 11, Iss 1, Pp 422-432 (2024)
Abstract Aims We sought to identify factors associated with right ventricular (RV) dysfunction and elevated pulmonary artery systolic pressure (PASP) and association with adverse outcomes in peripartum cardiomyopathy (PPCM). Methods and results We co
Externí odkaz:
https://doaj.org/article/5863f3a9e004474b853e67f6c3334a33
Pharmaceutical industry can better leverage its data assets to virtualize drug discovery through a collaborative machine learning platform. On the other hand, there are non-negligible risks stemming from the unintended leakage of participants' traini
Externí odkaz:
http://arxiv.org/abs/2205.06506
Autor:
Laura Ohl, Amanda Kuhs, Ryan Pluck, Emily Durham, Michael Noji, Nathan D. Philip, Zoltan Arany, Rebecca C. Ahrens-Nicklas
Publikováno v:
Molecular Genetics and Metabolism Reports, Vol 39, Iss , Pp 101091- (2024)
Branched chain ketoacid dehydrogenase kinase (BCKDK) deficiency is a recently described inherited neurometabolic disorder of branched chain amino acid (BCAA) metabolism implying increased BCAA catabolism. It has been hypothesized that a severe reduct
Externí odkaz:
https://doaj.org/article/f818517ac67c4b70a2e2d604114071d0
SparseChem provides fast and accurate machine learning models for biochemical applications. Especially, the package supports very high-dimensional sparse inputs, e.g., millions of features and millions of compounds. It is possible to train classifica
Externí odkaz:
http://arxiv.org/abs/2203.04676