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Proteins in complex with small molecule ligands represent the core of structure-based drug discovery. However, three-dimensional representations are absent from most deep-learning-based generative models. We here present a graph-based…

生物大分子 · 定量生物学 2022-04-07 Seung-gu Kang , Jeffrey K. Weber , Joseph A. Morrone , Leili Zhang , Tien Huynh , Wendy D. Cornell

Complex, non-additive genetic interactions are common and can be critical in determining phenotypes. Genome-wide association studies (GWAS) and similar statistical studies of linkage data, however, assume additive models of gene…

基因组学 · 定量生物学 2010-03-05 Nikita A. Sakhanenko , David J. Galas

Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus…

机器学习 · 计算机科学 2021-10-07 Hao Peng , Ruitong Zhang , Yingtong Dou , Renyu Yang , Jingyi Zhang , Philip S. Yu

Modern data sets in various domains often include units that were sampled non-randomly from the population and have a latent correlation structure. Here we investigate a common form of this setting, where every unit is associated with a…

统计方法学 · 统计学 2019-07-25 Omer Weissbrod , Shachar Kaufman , David Golan , Saharon Rosset

Prediction of protein-ligand complexes for flexible proteins remains still a challenging problem in computational structural biology and drug design. Here we present two novel deep neural network approaches with significant improvement in…

生物大分子 · 定量生物学 2020-08-28 Amr H. Mahmoud , Jonas F. Lill , Markus A. Lill

To date, genome-wide association studies (GWAS) have successfully identified tens of thousands of genetic variants among a variety of traits/diseases, shedding a light on the genetic architecture of complex diseases. Polygenicity of complex…

统计方法学 · 统计学 2017-10-27 Yi Yang , Mingwei Dai , Jian Huang , Xinyi Lin , Can Yang , Jin Liu , Min Chen

One of the main challenges in current systems neuroscience is the analysis of high-dimensional neuronal and behavioral data that are characterized by different statistics and timescales of the recorded variables. We propose a parametric…

统计方法学 · 统计学 2020-08-04 Nina Kudryashova , Theoklitos Amvrosiadis , Nathalie Dupuy , Nathalie Rochefort , Arno Onken

Linear Genetic Programming (LGP) is a powerful technique that allows for a variety of problems to be solved using a linear representation of programs. However, there still exists some limitations to the technique, such as the need for…

神经与进化计算 · 计算机科学 2026-01-16 Urmzd Mukhammadnaim

This paper studies the problem of statistical inference for genetic relatedness between binary traits based on individual-level genome-wide association data. Specifically, under the high-dimensional logistic regression models, we define…

统计方法学 · 统计学 2022-10-06 Rong Ma , Zijian Guo , T. Tony Cai , Hongzhe Li

Expression quantitative trait loci (eQTL) mapping constitutes a challenging problem due to, among other reasons, the high-dimensional multivariate nature of gene-expression traits. Next to the expression heterogeneity produced by…

定量方法 · 定量生物学 2014-12-10 Inma Tur , Alberto Roverato , Robert Castelo

Radiogenomic map linking image features and gene expression profiles is useful for noninvasively identifying molecular properties of a particular type of disease. Conventionally, such map is produced in three separate steps: 1)…

计算机视觉与模式识别 · 计算机科学 2019-07-09 Ziyue Xu , Xiaosong Wang , Hoo-Chang Shin , Dong Yang , Holger Roth , Fausto Milletari , Ling Zhang , Daguang Xu

Gene-disease associations are fundamental for understanding disease etiology and developing effective interventions and treatments. Identifying genes not yet associated with a disease due to a lack of studies is a challenging task in which…

机器学习 · 计算机科学 2023-03-08 Paola Stolfi , Andrea Mastropietro , Giuseppe Pasculli , Paolo Tieri , Davide Vergni

Single individual haplotyping is an NP-hard problem that emerges when attempting to reconstruct an organism's inherited genetic variations using data typically generated by high-throughput DNA sequencing platforms. Genomes of diploid…

机器学习 · 计算机科学 2019-09-04 Somsubhra Barik , Haris Vikalo

Disease-gene association through Genome-wide association study (GWAS) is an arduous task for researchers. Investigating single nucleotide polymorphisms (SNPs) that correlate with specific diseases needs statistical analysis of associations.…

定量方法 · 定量生物学 2020-12-21 Sezin Kircali Ata , Min Wu , Yuan Fang , Le Ou-Yang , Chee Keong Kwoh , Xiao-Li Li

Admixture mapping is a popular tool to identify regions of the genome associated with traits in a recently admixed population. Existing methods have been developed primarily for identification of a single locus influencing a dichotomous…

应用统计 · 统计学 2011-11-24 Bin Zhu , Allison E. Ashley-Koch , David B. Dunson

Deep learning-based networks are among the most prominent methods to learn linear patterns and extract this type of information from diverse imagery conditions. Here, we propose a deep learning approach based on graphs to detect plantation…

Approaches for testing sets of variants, such as a set of rare or common variants within a gene or pathway, for association with complex traits are important. In particular, set tests allow for aggregation of weak signal within a set, can…

基因组学 · 定量生物学 2013-05-28 Jennifer Listgarten , Christoph Lippert , Eun Yong Kang , Jing Xiang , Carl M. Kadie , David Heckerman

Methods to effectively detect multi-locus genetic association are becoming increasingly relevant in the genetic dissection of complex trait in humans. Current approaches typically consider a limited number of hypotheses, most of which are…

基因组学 · 定量生物学 2007-05-23 Zhong Li , Aris Floratos , David Wang , Andrea Califano

Transductive graph-based semi-supervised learning methods usually build an undirected graph utilizing both labeled and unlabeled samples as vertices. Those methods propagate label information of labeled samples to neighbors through their…

机器学习 · 计算机科学 2013-12-25 Fengqi Li , Chuang Yu , Nanhai Yang , Feng Xia , Guangming Li , Fatemeh Kaveh-Yazdy

Multispecific antibodies offer transformative therapeutic potential by engaging multiple epitopes simultaneously, yet their efficacy is an emergent property governed by complex molecular architectures. Rational design is often bottlenecked…