<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization حسب 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. …"

The illustration depicts our CQ-CNN architecture for binary image classification. حسب Mominul Islam (3513758)

<i>hi</i>PRS algorithm process flow. حسب Michela C. Massi (14599915)

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

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

Analysis and design of algorithms for the manufacturing process of integrated circuits حسب Sonia Fleytas (16856403)

"…The (approximate) solution proposals of state-of-the-art methods include rule-based approaches, genetic algorithms, and reinforcement learning. …"

Table_1_Data-based modeling for hypoglycemia prediction: Importance, trends, and implications for clinical practice.docx حسب 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 حسب Sergio Rey (8045333)

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

datasheet1_Graph Neural Networks for Maximum Constraint Satisfaction.pdf حسب Jan Tönshoff (10192709)

"…Despite being generic, we show that our approach matches or surpasses most greedy and semi-definite programming based algorithms and sometimes even outperforms state-of-the-art heuristics for the specific problems.…"

Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat. حسب 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. …"

An intelligent decision-making system for embryo transfer in reproductive technology: a machine learning-based approach حسب Sanaa Badr (20628838)

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

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

Data_Sheet_1_Fast Simulation of a Multi-Area Spiking Network Model of Macaque Cortex on an MPI-GPU Cluster.PDF حسب 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 حسب 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. …"