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DNA-encoded small molecule libraries (DELs) have enabled discovery of novel inhibitors for many distinct protein targets of therapeutic value through screening of libraries with up to billions of unique small molecules. We demonstrate a new…

In this paper, we want to show the potential benefit of a dynamic auto-tuning approach for the inference process in the Deep Neural Network (DNN) context, tackling the object detection challenge. We benchmarked different neural networks to…

Computer Vision and Pattern Recognition · Computer Science 2021-05-28 Emanuele Vitali , Anton Lokhmotov , Gianluca Palermo

Recently, a number of drug-therapy, disease, drug, and drug-target networks have been introduced. Here we suggest novel methods for network-based prediction of novel drug targets and for improvement of drug efficiency by analysing the…

Molecular Networks · Quantitative Biology 2008-07-31 Zoltan Spiro , Istvan A. Kovacs , Peter Csermely

Motivation: Automatic Anatomical Therapeutic Chemical (ATC) classification is a critical and highly competitive area of research in bioinformatics because of its potential for expediting drug develop-ment and research. Predicting an unknown…

Quantitative Methods · Quantitative Biology 2021-08-09 Loris Nanni , Alessandra Lumini , Sheryl Brahnam

Boolean networks at the critical point have been a matter of debate for many years as, e.g., scaling of number of attractor with system size. Recently it was found that this number scales superpolynomially with system size, contrary to a…

Disordered Systems and Neural Networks · Physics 2009-11-10 Konstantin Klemm , Stefan Bornholdt

Models have been proposed to extract temporal patterns from longitudinal electronic health records (EHR) for clinical predictive models. However, the common relations among patients (e.g., receiving the same medical treatments) were rarely…

Applications · Statistics 2019-09-27 Yue Wang , Tong Wu , Yunlong Wang , Gao Wang

We explore object detection with two attributes: color and material. The task aims to simultaneously detect objects and infer their color and material. A straight-forward approach is to add attribute heads at the very end of a usual object…

Computer Vision and Pattern Recognition · Computer Science 2021-08-27 Zhaoheng Zheng , Arka Sadhu , Ram Nevatia

Graph Neural Networks (GNNs) have recently achieved significant success, with a key operation involving the aggregation of information from neighboring nodes. Substantial researchers have focused on defining neighbors for aggregation,…

Machine Learning · Computer Science 2024-09-24 Ziyan Wang , Bin Liu , Ling Xiang

Deep neural networks have demonstrated promising performance on image recognition tasks. However, they may heavily rely on confounding factors, using irrelevant artifacts or bias within the dataset as the cue to improve performance. When a…

Computer Vision and Pattern Recognition · Computer Science 2023-03-03 Siyuan Yan , Zhen Yu , Xuelin Zhang , Dwarikanath Mahapatra , Shekhar S. Chandra , Monika Janda , Peter Soyer , Zongyuan Ge

How the architecture of gene regulatory networks ultimately shapes gene expression patterns is an open question, which has been approached from a multitude of angles. The dominant strategy has been to identify non-random features in these…

Molecular Networks · Quantitative Biology 2023-07-19 Dzmitry Rumiantsau , Annick Lesne , Marc-Thorsten Hütt

We consider the problem of detecting and estimating the strength of association between a trait of interest and alleles or haplotypes in a small genomic region (e.g. a gene or a gene complex), when no direct information on that region is…

Applications · Statistics 2008-04-11 Rodrigo Labouriau , Poul Sørensen , Helle R. Juul-Madsen

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Cancer forms a robust system and progresses as stages over time typically with increasing aggressiveness and worsening prognosis. Characterizing these stages and identifying the genes driving transitions between them is critical to…

Molecular Networks · Quantitative Biology 2014-02-04 Sriganesh Srihari , Venkatesh Raman , Hon Wai Leong , Mark A. Ragan

Artificial intelligence (AI) techniques have significant potential to enable effective, robust and automated image phenotyping including identification of subtle patterns. AI-based detection searches the image space to find the regions of…

Medical Physics · Physics 2022-01-17 Fereshteh Yousefirizi , Pierre Decazes , Amine Amyar , Su Ruan , Babak Saboury , Arman Rahmim

Cancer diagnosis, prognosis, and therapeutic response predictions are based on morphological information from histology slides and molecular profiles from genomic data. However, most deep learning-based objective outcome prediction and…

Computer Vision and Pattern Recognition · Computer Science 2020-09-04 Richard J. Chen , Ming Y. Lu , Jingwen Wang , Drew F. K. Williamson , Scott J. Rodig , Neal I. Lindeman , Faisal Mahmood

A prototype for a web application was designed and implemented as a guide to be used by clinicians when designing the best drug therapy for a specific cancer patient, given biological data derived from the patients tumor tissue biopsy. A…

Molecular Networks · Quantitative Biology 2014-05-15 Elinor Velasquez , Jorge Soto-Andrade , Ben Bongalon

The relationship between microscopic observations and macroscopic behavior is a fundamental open question in biophysical systems. Here, we develop a unified approach that---in contrast with existing methods---predicts cell type from…

Genomics · Quantitative Biology 2020-03-31 Thomas P. Wytock , Adilson E. Motter

Generating molecules with desired biological activities has attracted growing attention in drug discovery. Previous molecular generation models are designed as chemocentric methods that hardly consider the drug-target interaction, limiting…

Machine Learning · Computer Science 2022-10-24 Cheng Tan , Zhangyang Gao , Stan Z. Li

Recommender systems aim to recommend new items to users by learning user and item representations. In practice, these representations are highly entangled as they consist of information about multiple factors, including user's interests,…

Information Retrieval · Computer Science 2022-04-18 Paras Sheth , Ruocheng Guo , Lu Cheng , Huan Liu , K. Selçuk Candan

Causal inference approaches in systems genetics exploit quantitative trait loci (QTL) genotypes to infer causal relationships among phenotypes. The genetic architecture of each phenotype may be complex, and poorly estimated genetic…

Applications · Statistics 2010-10-08 Elias Chaibub Neto , Mark P. Keller , Alan D. Attie , Brian S. Yandell
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