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ChemRxiv: Preprint-Publikationen

Andrew Dalke

Superimposed Coding of Count Fingerprints to Binary Fingerprints

03.01.2026

Yalla Jnan Devi Satya Prasad

Reviving Algebraic Structure Approaches for Hidden Subgroup Variants and Novel Quantum Speedups in the NISQ Era

03.01.2026

Suresh Mothika · Monika Yadav et al.

Free-Standing Blatter Radical Polymer Thin Films: Precise Nanometer Thickness Tuning and Redox-Optical Properties

02.01.2026

Kristaps Ermanis · Stephen J. Harman

Complete Computational Exploration of Eight-Carbon Hydrocarbon Chemical Space

02.01.2026

Andrew Dalke

Superimposed Coding of Count Fingerprints to Binary Fingerprints

03.01.2026

Yalla Jnan Devi Satya Prasad

Reviving Algebraic Structure Approaches for Hidden Subgroup Variants and Novel Quantum Speedups in the NISQ Era

03.01.2026

Suresh Mothika · Monika Yadav et al.

Free-Standing Blatter Radical Polymer Thin Films: Precise Nanometer Thickness Tuning and Redox-Optical Properties

02.01.2026

Kristaps Ermanis · Stephen J. Harman

Complete Computational Exploration of Eight-Carbon Hydrocarbon Chemical Space

02.01.2026

Begum Yilmaz · Sven Weerdenburg et al.

Ultrafast Thermometry of Gold Nanoparticles: Resolving Particle and Medium Temperature Dynamics via Transient Absorption Spectroscopy

02.01.2026

Thomas Orasch · Julien Alex et al.

Cathepsin B cleavable voriconazole macromolecular prodrugs for intracellular release

02.01.2026

Rui Qin · Zijie Chen et al.

Revisiting Target-Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

02.01.2026

Kunal Roy · Arkaprava Banerjee et al.

A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models

02.01.2026

Michael Kio · Joshua Lucker

Molecular Dynamic Simulation of Homogeneous Phosphatidylcholine Bilayers as Controls for Cancer-like Membranes

31.12.2025

Kundai Sachikonye

Molecular Maxwell Demons as Information Catalysts for Post-Hoc Multi-Condition Mass Spectrometry

31.12.2025