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…
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48 results for “cancer drug screen”
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.
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…
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…
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,…
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.
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.
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.
Deep learning predicts breast cancer with high accuracy from patient data.
problem Early detection of breast cancer from patient data.
method Feature selection and k-fold Monte Carlo cross-validation using deep learning.
result Deep learning model effectively distinguishes between cancer and healthy patients.
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.
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.
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 …
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…
Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Modelsq-bio.QM
A new method for virtual drug screening detects top treatments.
problem Understanding model performance in virtual drug screening tasks.
method Regression Enrichment Surfaces (RES) method.
result RES detects more top-performing treatments than existing methods.
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.
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.
We trained and evaluated a localization-based deep CNN for breast cancer screening exam classification on over 200,000 exams (over 1,000,000 images). Our model achieves an AUC of 0.919 in predicting malignancy in patients undergoing breast cancer screening, reducing the error rate of the baseline (Wu et al., 2019a) by …
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…
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.
Radiologists typically compare a patient's most recent breast cancer screening exam to their previous ones in making informed diagnoses. To reflect this practice, we propose new neural network models that compare pairs of screening mammograms from the same patient. We train and evaluate our proposed models on over 665,…
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…
CAT framework improves AI medical screening fairness and reliability.
problem Imbalanced data, varying performance across cohorts, and patient-level inconsistencies in traditional metrics.
method CAT framework introduces patient-level assessment, entropy-based distribution weighting, and cohort-weighted sensitivity and specificity.
result Enhanced predictive reliability, fairness, and interpretability of AI-driven medical screening models.
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networksq-bio.BM
Deep neural network identifies potential SARS-CoV-2 inhibitors.
problem Finding novel therapies for SARS-CoV-2.
method Used ChemAI, a deep neural network trained on 220M data points, to screen and rank one billion molecules from the ZINC database.
result Identified 30,000 top-ranked compounds for further bioassays.
There are various algorithms and methodologies used for automated screening of cervical cancer by segmenting and classifying cervical cancer cells into different categories. This study presents a critical review of different research papers published that integrated AI methods in screening cervical cancer via different…
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…
Deep learning uses ROC cost functions to improve virtual screening accuracy.
problem Challenges in training deep learning models for virtual screening, especially class imbalance and lack of ground truth labels.
method Proposes using ROC cost functions to optimize deep learning models for virtual screening, introduces new training schemes and cost functions.
result Demonstrates improved performance of ROC-based approaches on PubChem datasets.
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…
We present a deep convolutional neural network for breast cancer screening exam classification, trained and evaluated on over 200,000 exams (over 1,000,000 images). Our network achieves an AUC of 0.895 in predicting whether there is a cancer in the breast, when tested on the screening population. We attribute the high …
This study predicts ovarian cancer from cysts using TVUS and machine learning.
problem Early detection of ovarian cancer from cysts using TVUS screening.
method Employed Random Forest, KNN, and XGBoost machine learning techniques on PLCO dataset.
result Achieved high accuracy, recall, f1 score, and precision in predicting ovarian cancer.
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…
ChemCPA predicts cellular responses to novel drugs using transfer learning.
problem Scaling high-throughput screens to measure cellular responses for many drugs is costly and challenging.
method ChemCPA, a new encoder-decoder architecture combined with transfer learning.
result Training on existing bulk RNA HTS datasets improves generalization performance, reducing the need for extensive single-cell screens.
Robust cancer screening model using pre-trained ensembles for biomarkers.
problem Detecting early-stage cancer, especially in hard-to-diagnose cases like pancreatic cancer.
method Meta-trained Hyperfast model for robust classification, combined with ensembling of XGBoost and LightGBM.
result Achieved highest AUC of 0.9929 and robust performance on imbalanced datasets.
Improved breast cancer screening with a fast, memory-efficient model.
problem Classifying high-resolution breast cancer screening images.
method Extends globally-aware multiple instance classifier to handle image-level labels.
result Achieves AUC of 0.93 in classifying malignant findings, outperforming existing methods.
Discovering oral cavity cancer (OCC) at an early stage is an effective way to increase patient survival rate. However, current initial screening process is done manually and is expensive for the average individual, especially in developing countries worldwide. This problem is further compounded due to the lack of speci…
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.
We estimate treatment cost-savings from early cancer diagnosis. For breast, lung, prostate and colorectal cancers and melanoma, which account for more than 50% of new incidences projected in 2017, we combine published cancer treatment cost estimates by stage with incidence rates by stage at diagnosis. We extrapolate to…
Unified model learns from proteins and ligands for drug design.
problem Disjoint data sources and modeling assumptions limit joint use of structure- and ligand-based drug design.
method Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe)
result Unified model achieves competitive zero-shot virtual screening performance and state-of-the-art ligand-conditioned pocket selection.
Breast density classification is an essential part of breast cancer screening. Although a lot of prior work considered this problem as a task for learning algorithms, to our knowledge, all of them used small and not clinically realistic data both for training and evaluation of their models. In this work, we explore the…
Machine learning predicts NaV1.7 inhibitors, leading to effective drug K1.
problem Predicting and optimizing NaV1.7 inhibitors for therapeutic use.
method Machine learning, specifically RF-CDK model, for predicting and screening.
result RF-CDK model identified effective compound K1, verified by cell patch clamp.
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…
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…
High-dimensional near-optimal experiment design for drug discovery via Bayesian sparse samplingcs.LG
Bayesian methods improve drug discovery experiment design.
problem Optimizing drug screening experiments in high-dimensional data.
method Bayesian inference and optimisation with upper confidence bound algorithms, Thompson sampling, and sparse tree search.
result Sparse tree search techniques outperform other methods in drug toxicity screening.
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.
Proposes a multi-view architecture for drug-target interaction prediction.
problem Representing compound-target pairs in deep learning models.
method Integrates differentiable and predefined molecular descriptors using an adversarial multi-view architecture.
result Demonstrates potential of the proposed approach on clinically relevant datasets.
The rapid development of deep learning, a family of machine learning techniques, has spurred much interest in its application to medical imaging problems. Here, we develop a deep learning algorithm that can accurately detect breast cancer on screening mammograms using an "end-to-end" training approach that efficiently …
Capsule network improves polyp diagnosis accuracy.
problem Low accuracy of optical biopsy methods for polyps.
method D-Caps architecture with CAP method.
result 43% improvement over previous state-of-the-art.
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…
AI and HPC help screen millions of molecules for SARS-CoV-2 treatments.
problem Finding effective treatments for SARS-CoV-2.
method AI and HPC enable screening of large molecule datasets.
result Data release of 23 datasets with 4.2 billion molecules.