Binary contingency table. by Lu Xiao (314030)

Performance of the greedy approximation algorithm. by Virgile Andreani (17087764)

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms by Yidan Tang (6623693)

“…By leveraging combinatorial ultralarge libraries, RosettaAMRLD ensures synthetic accessibility, optimizing protein–ligand interactions while efficiently sampling accessible chemical space. …”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…The algorithm was applied to aqueous, binary mixture systems composed of 37 common biochemical substances such as amino acids, organic acids, and sugars. …”

Process of generating MS/MS spectra from a protein mixture using mass-spectrometry analysis. by Muhammad Usman Tariq (11022141)

Performance of the SPP. by Virgile Andreani (17087764)

Assessing binding site representation across dense arrays. by Virgile Andreani (17087764)

A generic proteomics flow. by Muhammad Usman Tariq (11022141)

Optimal 8-mer and 9-mer SARS-CoV-2 epitope identification. by Mariah Hassert (5746874)

“…Peptide sequences are named based on the protein they are contained within, followed by the number of the first amino acid residue of the peptide in the context of the full protein, to the last amino acid residue. potential optimal 8-mer or 9-mer CD8+ T cell epitopes were predicted. …”

DataSheet_1_Raman Spectroscopic Differentiation of Streptococcus pneumoniae From Other Streptococci Using Laboratory Strains and Clinical Isolates.pdf by Marcel Dahms (9160118)

“…Improvement of the classification rate is expected with optimized model parameters and algorithms as well as with a larger spectral data base for training.…”

DataSheet1_Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.docx by Sergei Evteev (18294157)

“…</p><p>Methods: We developed Quantum-assisted Fragment-based Automated Structure Generator (QFASG), a fully automated algorithm designed to construct ligands for a target protein using a library of molecular fragments. …”

MCLP_quantum_annealer_V0.5 by Anonymous Anonymous (4854526)

“…Currently, classical high-performance and parallel spatial computing architectures are commonly employed to solve geospatial optimization problems. …”

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

“…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

“…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”

Generalized Tensor Decomposition With Features on Multiple Modes by Jiaxin Hu (1327875)

“…An efficient alternating optimization algorithm with provable spectral initialization is further developed. …”

Contextual Dynamic Pricing with Strategic Buyers by Pangpang Liu (18886419)

“…This underscores the rate optimality of our policy. Importantly, our policy is not a mere amalgamation of existing dynamic pricing policies and strategic behavior handling algorithms. …”

Bayesian sequential design for sensitivity experiments with hybrid responses by Yuxia Liu (1779592)

“…<p>In experimental design, a common problem seen in practice is when the result includes one binary response and multiple continuous responses. …”

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. …”

Image_13_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_2_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)