Selecting the right drugs for the right patients is a primary goal of precision medicine. In this manuscript, we consider the problem of cancer drug selection in a learning-to-rank framework. We have formulated the cancer drug selection problem as to accurately predicting 1). the ranking positions of sensitive drugs an…
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48 results for “cancer drug sensitivity”
Improved anti-cancer drug sensitivity prediction using REFINED CNN ensemble learning.
problem Challenges in predicting anti-cancer drug sensitivity for individual cell lines.
method Using REFINED CNN, which represents high-dimensional vectors as compact 2D images with spatial correlations, and building ensembles of these models.
result Ensemble approaches significantly improve drug sensitivity prediction performance compared to single models.
We present the Network-based Biased Tree Ensembles (NetBiTE) method for drug sensitivity prediction and drug sensitivity biomarker identification in cancer using a combination of prior knowledge and gene expression data. Our devised method consists of a biased tree ensemble that is built according to a probabilistic bi…
Understanding the phenotypic drug response on cancer cell lines plays a vital rule in anti-cancer drug discovery and re-purposing. The Genomics of Drug Sensitivity in Cancer (GDSC) database provides open data for researchers in phenotypic screening to test their models and methods. Previously, most research in these ar…
Exploratory cancer drug studies test multiple tumor cell lines against multiple candidate drugs. The goal in each paired (cell line, drug) experiment is to map out the dose-response curve of the cell line as the dose level of the drug increases. We propose Bayesian Tensor Filtering (BTF), a hierarchical Bayesian model …
Permutation invariant multi-output Gaussian Processes for drug combination prediction in cancerq-bio.QM
Develops a scalable model for drug combination prediction in cancer.
problem Accurate prediction of drug combinations for cancer treatment.
method Permutation invariant multi-output Gaussian Processes with variational approximation and deep generative model.
result Model efficiently borrows information across drug combinations and provides uncertainty quantification.
Accurately predicting drug responses to cancer is an important problem hindering oncologists' efforts to find the most effective drugs to treat cancer, which is a core goal in precision medicine. The scientific community has focused on improving this prediction based on genomic, epigenomic, and proteomic datasets measu…
Predicting the response of cancer cells to drugs is an important problem in pharmacogenomics. Recent efforts in generation of large scale datasets profiling gene expression and drug sensitivity in cell lines have provided a unique opportunity to study this problem. However, one major challenge is the small number of sa…
Model predicts anti-cancer drug responses using gene and molecular data.
problem Expensive and time-consuming cancer drug discovery and tailoring.
method Uses variational autoencoders and multi-layer perceptrons to encode gene expression and drug data.
result High average of 0.83 and 0.845 in predicting drug responses for breast and pan-cancer cell lines, respectively.
Motivation: Human genomic datasets often contain sensitive information that limits use and sharing of the data. In particular, simple anonymisation strategies fail to provide sufficient level of protection for genomic data, because the data are inherently identifiable. Differentially private machine learning can help b…
Predicting the efficacy of a drug for a given individual, using high-dimensional genomic measurements, is at the core of precision medicine. However, identifying features on which to base the predictions remains a challenge, especially when the sample size is small. Incorporating expert knowledge offers a promising alt…
System automates identification of cancer drug repurposing from PubMed.
problem Manual extraction of cancer drug repurposing evidence from scientific publications is infeasible.
method NLP pipeline including querying, filtering, entity extraction, classification, and study type classification.
result Automated system extracts cancer drug repurposing evidence from PubMed abstracts.
With the advent of deep generative models in computational chemistry, in silico anticancer drug design has undergone an unprecedented transformation. While state-of-the-art deep learning approaches have shown potential in generating compounds with desired chemical properties, they disregard the genetic profile and prop…
The study of high-throughput genomic profiles from a pharmacogenomics viewpoint has provided unprecedented insights into the oncogenic features modulating drug response. A recent screening of ~1,000 cancer cell lines to a collection of anti-cancer drugs illuminated the link between genotypes and vulnerability. However,…
Synergistic Drug Combination Prediction by Integrating Multi-omics Data in Deep Learning Modelsq-bio.GN
Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all effective drug combinations considering the limited resources. Therefore, computat…
Bayesian framework for analyzing heterogeneous covariance data with a novel MoE-Wishart model.
problem Analyzing complex multivariate systems with varying covariance structures.
method Comprehensive Bayesian framework using mixture-of-experts Wishart model with predictor-dependent mixture weights.
result Accurate subpopulation recovery and estimation in heterogeneous covariance scenarios.
Proposes a method to estimate drug sensitivity uncertainty using deep regression forests.
problem Lack of confidence intervals in deep learning models for critical tasks.
method Uses Deep Regression Forests to estimate variance and uncertainty for drug sensitivity prediction.
result Improves efficiency and coverage of uncertainty estimates for drug sensitivity predictions.
Dr.S recommends cancer drugs based on genomic data.
problem Personalizing cancer treatments using genomic information.
method Machine learning to identify optimal drug-gene associations.
result Developed a Drug Recommendation System (Dr.S) for cancer cell lines.
Chemotherapeutic response of cancer cells to a given compound is one of the most fundamental information one requires to design anti-cancer drugs. Recent advances in producing large drug screens against cancer cell lines provided an opportunity to apply machine learning methods for this purpose. In addition to cytotoxi…
In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure i…
Study improves drug synergy prediction using ensemble learning.
problem Predicting drug synergy in complex diseases.
method Investigated different compound representations and proposed an ensemble model.
result Ensemble model outperforms baseline models.
Black Box FDRstat.ML
Analyzing large-scale, multi-experiment studies requires scientists to test each experimental outcome for statistical significance and then assess the results as a whole. We present Black Box FDR (BB-FDR), an empirical-Bayes method for analyzing multi-experiment studies when many covariates are gathered per experiment.…
Cardiotoxicity related to cancer therapies has become a serious issue, diminishing cancer treatment outcomes and quality of life. Early detection of cancer patients at risk for cardiotoxicity before cardiotoxic treatments and providing preventive measures are potential solutions to improve cancer patients's quality of …
Motivation: Analysis of relationships of drug structure to biological response is key to understanding off-target and unexpected drug effects, and for developing hypotheses on how to tailor drug thera-pies. New methods are required for integrated analyses of a large number of chemical features of drugs against the corr…
A key goal of computational personalized medicine is to systematically utilize genomic and other molecular features of samples to predict drug responses for a previously unseen sample. Such predictions are valuable for developing hypotheses for selecting therapies tailored for individual patients. This is especially va…
Omics-GAN uses GANs to generate synthetic multi-omics data for improved disease prediction.
problem Limited sample sizes, noise, and heterogeneity in multi-omics data reduce predictive power.
method Omics-GAN is a GAN-based framework that generates high-quality synthetic multi-omics profiles.
result Synthetic datasets consistently improved prediction accuracy compared to original omics profiles.
SynthBH uses synthetic data to control FDR in multiple testing.
problem Controlling false discovery rate in multiple hypothesis testing.
method SynthBH, a synthetic-powered multiple testing procedure.
result SynthBH guarantees FDR control with synthetic data.
New method uses machine learning to estimate drug parameters in brain models.
problem Estimating unknown parameters in complex brain drug models.
method Physics-Informed Neural Networks (PINNs) for inverse problem solving.
result Accurate parameter estimation leads to precise drug concentration profiles.
PDBAL targets experiments for probabilistic models to maximize insights.
problem Designing experiments to yield valuable insights efficiently.
method Combines user-specified risk function with probabilistic model to adaptively choose designs.
result PDBAL consistently outperforms standard approaches in simulations and real-world drug screen data.
Improves drug properties using a novel LLM and reinforcement learning.
problem Optimizing drug properties while retaining chemical stability.
method Structured Policy Optimization (SPO) for fine-tuning a large language model.
result Enhanced drug properties across multiple target objectives.
Predicting drug-target interactions (DTI) is an essential part of the drug discovery process, which is an expensive process in terms of time and cost. Therefore, reducing DTI cost could lead to reduced healthcare costs for a patient. In addition, a precisely learned molecule representation in a DTI model could contribu…
Machine learning accurately diagnoses cancer from whole genome sequencing data.
problem Accurate cancer diagnosis at all stages.
method Novel MLAC (Machine Learning Against Cancer) method using next-gen RNA sequencing.
result Perfect precision, sensitivity, and specificity achieved for most tumor types.
The biological processes involved in a drug's mechanisms of action are oftentimes dynamic, complex and difficult to discern. Time-course gene expression data is a rich source of information that can be used to unravel these complex processes, identify biomarkers of drug sensitivity and predict the response to a drug. H…
Generative model designs drug combinations for improved efficacy and reduced side effects.
problem Designing effective drug combinations to overcome resistance and reduce side effects.
method Developed a deep generative model using HVGAE and a novel reward system.
result Network-principled drug combinations show reduced toxicity and potential for new strategies.
PMCE: efficient inference of expressive models of cancer evolution with high prognostic powerstat.ML
Motivation: Driver (epi)genomic alterations underlie the positive selection of cancer subpopulations, which promotes drug resistance and relapse. Even though substantial heterogeneity is witnessed in most cancer types, mutation accumulation patterns can be regularly found and can be exploited to reconstruct predictive …
Over 150,000 new people in the United States are diagnosed with colorectal cancer each year. Nearly a third die from it (American Cancer Society). The only approved noninvasive diagnosis tools currently involve fecal blood count tests (FOBTs) or stool DNA tests. Fecal blood count tests take only five minutes and are av…
PKB framework boosts genomic data analysis by integrating pathway knowledge.
problem Boosting discovery power and connecting new findings with biological mechanisms in genomic data.
method Pathway-based Kernel Boosting (PKB) framework integrating clinical and pathway information for prediction of various outcomes.
result PKB substantially outperforms other methods in predicting drug response and cancer survival.
Study assesses deep neural networks' robustness in mammogram images.
problem Understanding deep neural networks' robustness in mammogram images for breast cancer screening.
method Measuring sensitivity to four perturbations and analyzing low-pass filtering effects.
result Mammogram image classifiers are sensitive to perturbations similar to natural images, but low-pass filtering degrades clinically meaningful features.
Objectives: Most cancer data sources lack information on metastatic recurrence. Electronic medical records (EMRs) and population-based cancer registries contain complementary information on cancer treatment and outcomes, yet are rarely used synergistically. To enable detection of metastatic breast cancer (MBC), we appl…
Breast cancer is the most frequently reported cancer type among the women around the globe and beyond that it has the second highest female fatality rate among all cancer types. Despite all the progresses made in prevention and early intervention, early prognosis and survival prediction rates are still unsatisfactory. …
A Deep Autoencoder System for Differentiation of Cancer Types Based on DNA Methylation Stateq-bio.QM
A Deep Autoencoder based content retrieval algorithm is proposed for prediction and differentiation of cancer types based on the presence of epigenetic patterns of DNA methylation identified in genetic regions known as CpG islands. The developed deep learning system uses a CpG island state classification sub-system to …
Microwave-based breast cancer detection has been proposed as a complementary approach to compensate for some drawbacks of existing breast cancer detection techniques. Among the existing microwave breast cancer detection methods, machine learning-type algorithms have recently become more popular. These focus on detectin…
Proposes a new method using GANs for testing conditional independence.
problem High-dimensional conditional independence testing in statistics and machine learning.
method Double GANs framework to learn conditional distributions, then construct a test statistic.
result The test statistic is doubly robust and has asymptotic power approaching one.
Interventional cancer clinical trials are generally too restrictive, and some patients are often excluded on the basis of comorbidity, past or concomitant treatments, or the fact that they are over a certain age. The efficacy and safety of new treatments for patients with these characteristics are, therefore, not defin…
PersonalizedUS assesses breast cancer risk with local coverage guarantees.
problem Manual BI-RADS scoring leads to unnecessary biopsies and mental health burden.
method Conformal prediction for precise, personalized risk estimates.
result Local coverage guarantees with high sensitivity and specificity.
ERP improves drug discovery by balancing molecule generation quality and efficiency.
problem Generating valid and optimal molecules from large language models.
method Entropy-Reinforced Planning (ERP) for Transformer Decoding.
result ERP outperforms current state-of-the-art algorithms by 1-5 percent on SARS-CoV-2 and human cancer cell targets.
Flatsomatic compresses cancer mutation data with VAEs, maintaining predictive power.
problem Compressing somatic mutation profiles in cancer while preserving predictive power.
method Flatsomatic uses a Variational Auto Encoder (VAE) with MLP architecture, optimizing evidence lower bound and beta-VAE for latent space regularization.
result Flatsomatic embeddings maintain predictive power of original data, reducing dimensionality from 8,298 to 64.
ISAAC audits deep models for drug-target interactions, revealing structural differences.
problem Deep models for DTI often use irrelevant features, making them hard to evaluate.
method ISAAC uses intervention-based structural auditing to evaluate model sensitivity.
result ISAAC reveals significant structural differences in DTI models' reasoning.