<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization by Alberga Domenico (9356272)

“…In the present study, we conceived a novel pair-based multiobjective approach implemented in an adapted SMILES generative algorithm based on recurrent neural networks for the automated <i>de novo</i> design of new molecules whose overall features are optimized by finding the best trade-offs among relevant physicochemical properties (MW, logP, HBA, HBD) and additional similarity-based constraints biasing specific biological targets. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology by Pieter B. Burger (4172578)

“…Ultimately, the study advocates for the synergy of physics-based methods and ML to expedite the lead optimization process. …”

Table_1_Data-based modeling for hypoglycemia prediction: Importance, trends, and implications for clinical practice.docx by Liyin Zhang (6371999)

“…Models utilizing clinical data have identified a variety of risk factors that can lead to hypoglycemic events. Data-driven models based on various techniques such as neural networks, autoregressive, ensemble learning, supervised learning, and mathematical formulas have also revealed suggestive features in cases of hypoglycemia prediction.…”

Efficient Regionalization for Spatially Explicit Neighborhood Delineation by Sergio Rey (8045333)

Efficient Regionalization for Spatially Explicit Neighborhood Delineation by Ran Wei (8707228)

Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat. by Enrico Bertozzi (22461709)

“…<br>The consistency of the results across different kernels demonstrates that the information contained in the habitat, by itself, leads to a very simple optimal decision rule (mostly the prediction of the most frequent class per habitat), which cannot be improved solely by model adjustments. …”

Supporting data for "clinical-oriented surgical planning based on finite element method and automate-generated surgical templates assisting the spinal surgery" by Tianchi Wu (11062323)

“…Remaining algorithm needed was reimplemented from open-source libraries.…”

Data_Sheet_1_Multiclass Classification Based on Combined Motor Imageries.pdf by Cecilia Lindig-León (7889777)

“…And we propose two new multilabel uses of the Common Spatial Pattern (CSP) algorithm to optimize the signal-to-noise ratio, namely MC2CMI and MC2SMI approaches. …”

Data_Sheet_1_Fast Simulation of a Multi-Area Spiking Network Model of Macaque Cortex on an MPI-GPU Cluster.PDF by Gianmarco Tiddia (10824118)

“…NEST GPU is a GPU library written in CUDA-C/C++ for large-scale simulations of spiking neural networks, which was recently extended with a novel algorithm for remote spike communication through MPI on a GPU cluster. …”

R‑BIND: An Interactive Database for Exploring and Developing RNA-Targeted Chemical Probes by Brittany S. Morgan (7554242)

“…These tools and resources can be used to design small molecule libraries, optimize lead ligands, or select targets, probes, assays, and control experiments. …”

R‑BIND: An Interactive Database for Exploring and Developing RNA-Targeted Chemical Probes by Brittany S. Morgan (7554242)

“…These tools and resources can be used to design small molecule libraries, optimize lead ligands, or select targets, probes, assays, and control experiments. …”

R‑BIND: An Interactive Database for Exploring and Developing RNA-Targeted Chemical Probes by Brittany S. Morgan (7554242)

“…These tools and resources can be used to design small molecule libraries, optimize lead ligands, or select targets, probes, assays, and control experiments. …”

An Ecological Benchmark of Photo Editing Software: A Comparative Analysis of Local vs. Cloud Workflows by Pierre-Alexis DELAROCHE (22092572)

“…Experimental Methodology Framework Local Processing Pipeline Architecture Data Flow: Storage I/O → Memory Buffer → CPU/GPU Processing → Cache Coherency → Storage I/O ├── Input Vector: mmap() system call for zero-copy file access ├── Processing Engine: OpenMP parallelization with NUMA-aware thread affinity ├── Memory Management: Custom allocator with hugepage backing └── Output Vector: Direct I/O bypassing kernel page cache Cloud Processing Pipeline Architecture Data Flow: Local Storage → Network Stack → TLS Tunnel → CDN Edge → Origin Server → Processing Grid → Response Pipeline ├── Upload Phase: TCP window scaling with congestion control algorithms ├── Network Layer: Application-layer protocol with adaptive bitrate streaming ├── Server-side Processing: Containerized microservices on Kubernetes orchestration ├── Load Balancing: Consistent hashing with geographic affinity routing └── Download Phase: HTTP/2 multiplexing with server push optimization Dataset Schema and Semantic Structure Primary Data Vectors Field Data Type Semantic Meaning Measurement Unit test_type Categorical Processing paradigm identifier {local_processing, cloud_processing} photo_count Integer Cardinality of input asset vector Count avg_file_size_mb Float64 Mean per-asset storage footprint Mebibytes (2^20 bytes) total_volume_gb Float64 Aggregate data corpus size Gigabytes (10^9 bytes) processing_time_sec Integer Wall-clock execution duration Seconds (SI base unit) cpu_usage_watts Float64 Thermal design power consumption Watts (Joules/second) ram_usage_mb Integer Peak resident set size Mebibytes network_upload_mb Float64 Egress bandwidth utilization Mebibytes energy_consumption_kwh Float64 Cumulative energy expenditure Kilowatt-hours co2_equivalent_g Float64 Carbon footprint estimation Grams CO₂e test_date ISO8601 Temporal execution marker RFC 3339 format hardware_config String Node topology identifier Alphanumeric encoding Statistical Distribution Characteristics The dataset exhibits non-parametric distribution patterns with significant heteroscedasticity across computational load vectors. …”

Performance of Artificial Intelligence in Detecting Diabetic Macular Edema from Fundus Photographs and Optical Coherence Tomography Images: A Systematic Review and Meta-analysis by Ching Lam (14590970)

“…OCT-based algorithms of 28 studies yielded pooled AUROC, sensitivity, and specificity of 0.985, 95.9%, and 97.9%. …”