Deep learning predicts pharmaceutical formulations with high accuracy.
problem Laborious, time-consuming and costly traditional trial-and-error approach in pharmaceutical formulation development.
method Used deep learning for automatic feature extraction, developed automatic dataset selection algorithm, compared with six machine learning methods.
result Deep neural networks achieved accuracies above 80% in predicting pharmaceutical formulations.
Study reveals similarities in knowledge flows between pharmaceutical and AI industries.
problem Understanding the dynamics of drug pipelines in global pharmaceutical industry.
method Multilayer network analysis of drug pipeline, global supply chain, and ownership data.
result Proven similarities in knowledge flows between pharmaceutical and AI industries.
Paper predicts bearing degradation stages for pharmaceutical industry maintenance.
problem Predicting when to maintain specific parts of production machines.
method AutoEncoder-based k-means segmentation of high-frequency vibration data.
result Framework generates reliable predictions for bearing degradation stages.
The paper improves patient targeting in pharmaceutical sales by predicting treatment delays.
problem Improving accuracy in predicting treatment delays for patients.
method A time-sensitive targeting framework using a time series model with extracted features and look-forward periods.
result Improved accuracy in predicting treatment delays for patients.
Study models growth of unorganized retail in Indian pharma sector amid organized and e-retail competition.
problem Survival strategies of unorganized retailers challenged by organized and e-retailers.
method Field investigation, conjoint analysis, design of experiments, agent-based simulation.
result Unorganized retailers' performance influenced by their own attribute levels and price discounts.
Unified approach for sequence design combining likelihood-free inference and black-box optimization.
problem Designing biological sequences efficiently and accurately.
method Unified probabilistic framework integrating likelihood-free inference and black-box optimization.
result Previous optimization methods can be adapted and new algorithms proposed within this framework.
Are large scale research programs that include many projects more productive than smaller ones with fewer projects? This problem of economy of scale is particularly relevant for understanding recent mergers in particular in the pharmaceutical industry. We present a quantitative theory based on the characterization of d…
AI enhances personalized drug development and decision-making in pharma.
problem Traditional drug development lacks personalized treatment plans.
method Application of AI in drug discovery, clinical trials, and post-marketing assessment.
result AI improves personalized medicine, optimizing health outcomes.
Neural networks predict ODT formulations, reducing development time.
problem Efficiently predicting ODT formulations for quality control.
method Artificial Neural Network (ANN) and Deep Neural Network (DNN) techniques.
result DNN model outperformed ANN in predicting ODT disintegrating time.
This study improves valuation of post-revenue biopharmaceutical assets using Pfizer's data.
problem Accurate valuation of post-revenue drug assets in biotech and pharma.
method Historical sales data analysis to forecast future sales and calculate Net Present Value.
result Demonstrates a method for more informed investment decisions in biotech and pharma.
We analyze a database comprising quarterly sales of 55624 pharmaceutical products commercialized by 3939 pharmaceutical firms in the period 1992--2001. We study the probability density function (PDF) of growth in firms and product sales and find that the width of the PDF of growth decays with the sales as a power law w…
Decomposes financial networks to reveal cause-effect hierarchies during crises.
problem Complex financial networks are hard to interpret due to Granger causality.
method Helmholtz-Hodge-Kodaira decomposition to separate networks into rotational and gradient components.
result Precious metals and pharmaceutical products are identified as causal drivers during crises.
RL platform enhances user journeys in healthcare apps.
problem Improving user experience and personalization in healthcare apps.
method Reinforcement learning framework for adaptive interventions.
result Significant increase in basket size through personalized recommendations.
SNAPO optimizes policies for complex sequential decisions using differentiable simulation.
problem Optimizing policies for high-dimensional, sequential decisions under uncertainty.
method Embeds neural policy in a differentiable simulator, computes gradients efficiently.
result Produces sensitivities at a cost proportional to one reverse pass, regardless of sensitivity count.
Study reveals holiday effect on China's time-honored brands, especially alcoholic beverages.
problem Understanding holiday impact on China's time-honored brands.
method Event study using listed companies of China's time-honored brands from 2012-2021.
result Time-honored brand stocks show significant post-holiday effect during Chinese New Year, alcoholic beverages more sensitive.
Retina-VAE models macular disease spectrum using clinical data.
problem Representing the spectrum of macular diseases clinically.
method Variational autoencoder (VAE) model trained on patient profiles.
result Latent vectors cluster into 14 subtypes, suggesting treatment responses.
Teaches reproducible research to medical students and postgrads.
problem Lack of reproducibility in medical research practices.
method Designed and delivered a lecture series on reproducible research.
result Encountered practical obstacles in reproducing a published analysis.
Quantum machine learning boosts drug discovery efficiency.
problem Enhancing drug discovery through quantum computing.
method Quantum neural networks on gate-based quantum computers.
result Significant advancements in molecular property prediction and generation.
Predicts stock price changes based on clinical trial announcements.
problem Forecasting the impact of clinical trial results on pharma stock prices.
method BERT for sentiment analysis, Temporal Fusion Transformer for forecasting, graph convolution network for event relationships, gradient boosting for price change prediction.
result Identifies two crucial factors: drug portfolio size and network effect of related events.
Research predicts healthcare index movements using historical OHLC data.
problem Predicting the directional movement of healthcare indices based on historical data.
method Supervised classification task with a one-step-ahead rolling window, using a diverse feature set including OHLC ratios.
result Robust predictive performance with accuracy exceeding 0.8 and Matthews correlation coefficients above 0.6, highlighting the importance of nowcasting features.
New model predicts toxicity of compounds, improving on existing methods.
problem Discarding compounds due to toxicity in drug development.
method Ensemble machine learning combining neural networks and QSAR descriptors.
result Significantly outperforms existing models on ToxCast and Tox21 datasets.
ESOP uses Bayesian optimization to find optimal lock-down schedules.
problem Finding optimal lock-down schedules balancing health and economy.
method Bayesian optimization interacting with epidemiological models.
result ESOP schedules balance public health and economic impacts.
Study uses healthcare claims data to identify Covid-19 risk factors without prior selection.
problem Identify risk factors for severe Covid-19 cases.
method Fine-grained hierarchical information from medical classification systems used to analyze over 33,000 covariates.
result Method has better predictive ability than pre-specified morbidity groups.
The study identifies patient subgroups with enhanced or diminished opioid treatment effects.
problem Lack of prescribing guidelines for opioids leading to adverse outcomes.
method Generative model using mixture distribution and sparsity to discover subgroups with treatment effects.
result Human-interpretable insights on subgroups with enhanced or diminished treatment effects.
Machine learning improves financial stress testing in Indian markets.
problem Conventional stress testing limitations in Indian financial markets.
method Dimensionality reduction, latent factor modeling, Variational Autoencoders, Monte Carlo simulation.
result Improved flexibility, robustness, and realism in financial stress testing.
A new RL framework optimizes drug-like molecules synthetically.
problem Optimizing drug-like molecules for specific criteria.
method Deep Reinforcement Learning framework for chemical space optimization.
result Outperforms existing methods in pharmacological optimization.
Algorithm generates new drug molecules from prototypes, showing diversity and validity.
problem Designing new drugs from existing prototypes is expensive and time-consuming.
method Conditional Diversity Networks (CDN) for unsupervised generation of drug molecules.
result Generated molecules are valid and significantly different from prototypes, including FDA-approved drugs.
We propose rectified factor networks (RFNs) to efficiently construct very sparse, non-linear, high-dimensional representations of the input. RFN models identify rare and small events in the input, have a low interference between code units, have a small reconstruction error, and explain the data covariance structure. R…
Develops a method to discriminate between competing models using Gaussian process surrogates.
problem Discriminating between competing models when data is insufficient and models are non-analytical.
method Introduces Gaussian process surrogates to extend design of experiments methods to non-analytical models.
result Extends design of experiments methods to non-analytical models in a computationally efficient manner.
Federated learning platform for drug discovery without sharing data.
problem Lack of secure collaboration in drug discovery.
method Industry-scale federated learning platform using cryptographic aggregation.
result Generated new scientific discoveries in drug discovery.
Study finds WACC negatively impacts firm profitability in Bangladesh's food industry.
problem Determining the impact of Weighted Average Cost of Capital (WACC) on firm profitability.
method Fixed Effects Panel Regression Model using 12 food and allied industry companies from 2005-2019.
result WACC negatively correlates with firm profitability (ROA), significant relationship.
Paper improves safe policy improvement with estimated baseline policy.
problem Unreliable batch Reinforcement Learning algorithms in real-world applications.
method Apply SPIBB algorithms with an estimated baseline policy.
result Safe policy improvement guarantees over true baseline without direct access.
hyperSBINN improves drug cardiosafety assessment by efficiently modeling cardiac action potentials.
problem Complexity and limited data in modeling cardiac effects of drugs.
method Combining meta-learning with SBINNs to solve parameterized cardiac action potential models.
result hyperSBINN outperforms traditional solvers in speed and accuracy for predicting APD90 values.
All SMILES VAE learns molecule latent representations from SMILES strings.
problem Non-unique SMILES strings and high computational cost of graph convolutions hinder VAEs for molecular property optimization.
method Stacked recurrent neural networks encode multiple SMILES strings, pooling hidden representations, and attentional pooling builds a final latent representation.
result All SMILES VAE significantly surpasses state-of-the-art in molecular property optimization tasks.
Interprets deep learning models in drug discovery to reveal hidden pharmacophores.
problem Neural networks in drug discovery are opaque; lack of interpretability limits their use.
method Identifies key components (pharmacophores/toxicophores) that influence model predictions.
result Extracted pharmacophores are consistent with literature findings and provide new insights.
Study examines cash conversion cycle in manufacturing firms, finding negative relationships with profitability and size.
problem Understanding cash conversion cycle in manufacturing firms and its impact on profitability and size.
method Empirical study of 30 manufacturing firms in Dhaka Stock Exchanges, categorizing them into six industries, analyzing industry averages and relationships with size and profitability.
result Negative relationship between cash conversion cycle and profitability, especially ROE; negative relationship with firm size in terms of net sales.
Bayesian optimization speeds up bioprocess development across scales.
problem Costly and complex bioprocess development across scales and biocatalyst selection.
method Multi-fidelity batch Bayesian optimization framework integrating Gaussian Processes and mixed-variable optimization.
result Reduction in experimental costs and increased yield in bioprocess optimization.
Study examines how social media sentiment impacts biotech stocks.
problem Understanding the impact of social media on biotech stock prices.
method VADER sentiment analysis, ARIMA, and VAR models were used to forecast stock market performance.
result Complex interplay between tweet sentiment and stock market performance was identified.
A new causal deepset framework improves off-policy evaluation under complex interference.
problem Handling spatio-temporal interference in off-policy evaluation.
method Permutation invariance assumption and novel algorithms incorporating it.
result Significantly more precise estimations than existing methods.
Q-SAVI model improves drug discovery accuracy with prior knowledge of chemical space.
problem Challenges in drug discovery due to covariate shift and limited labeled data.
method Probabilistic model with domain-informed prior distributions over functions.
result Q-SAVI outperforms state-of-the-art techniques in predictive accuracy and calibration.
We propose an alternative framework to existing setups for controlling false alarms when multiple A/B tests are run over time. This setup arises in many practical applications, e.g. when pharmaceutical companies test new treatment options against control pills for different diseases, or when internet companies test the…
This paper introduces a reinforcement learning framework for A/B testing with dynamic causal effects.
problem Challenges in online experiments with sequential treatments and long-term impacts.
method Reinforcement learning framework for sequential monitoring and updating.
result Demonstrates improved treatment effect evaluation over current methods.
New method uses SHAP for biomarker identification in CATE models.
problem Identifying predictive biomarkers from observational data.
method Surrogate estimation approach using SHAP values for CATE meta-learners.
result SHAP accurately identifies biomarkers in high-dimensional data.
Deep learning predicts tissue properties from cell-laden hydrogels.
problem Predicting tissue properties from cell-laden hydrogels.
method Developed a process for generating mould designs, created a training set of 6500 cases, trained a deep learning model (pix2pix).
result Deep learning makes excellent predictions and is significantly faster than biophysical methods.
Predict drug-drug side effects using co-attention neural network.
problem Early detection of polypharmacy side effects in drug combinations.
method Co-attention neural network architecture for DDI prediction.
result State-of-the-art results on predicting side effects from drug types and structures.
SELFIES solves molecular string representation weaknesses for material design.
problem Weaknesses in SMILES for representing valid molecules in material design.
method Introducing SELFIES, a 100% robust string-based molecular representation.
result SELFIES strings correspond to valid molecules, allowing arbitrary machine learning applications.
Paper proposes a framework to predict therapeutic properties of compounds.
problem Predict therapeutic properties of compounds with heterogeneous data.
method Domain-adversarial multi-task framework using adversarial learning.
result Framework improves performance over competitive baselines.
CoDrug uses KDE to create valid prediction sets for drug molecules under covariate shift.
problem Creating reliable uncertainty estimates for drug properties from computational models.
method CoDrug employs an energy-based model and KDE to assess and rectify distribution shift.
result CoDrug reduces the coverage gap by over 35% compared to non-adjusted conformal prediction sets.