Self-reproducing catalytic micelles as nanoscopic protocell precursors

A Kahana, D Lancet - Nature Reviews Chemistry, 2021‏ - nature.com
Protocells at life's origin are often conceived as bilayer-enclosed precursors of life, whose
self-reproduction rests on the early advent of replicating catalytic biopolymers. This …

Two heads are better than one: current landscape of integrating QSP and machine learning: an ISoP QSP SIG white paper by the working group on the integration of …

T Zhang, IP Androulakis, P Bonate, L Cheng… - … of Pharmacokinetics and …, 2022‏ - Springer
Quantitative systems pharmacology (QSP) modeling is applied to address essential
questions in drug development, such as the mechanism of action of a therapeutic agent and …

Evolutionary computation in bioinformatics: A survey

Y Zhang, L Cheng, G Chen, D Alghazzawi - Neurocomputing, 2024‏ - Elsevier
Bioinformatics is a subject that studies life phenomena by using mathematical and
information science theories and techniques. Its main tasks, such as DNA sequence …

Benchmarking chemical neural ordinary differential equations to obtain reaction network-constrained kinetic models from spectroscopic data

A Puliyanda, K Srinivasan, Z Li, V Prasad - Engineering Applications of …, 2023‏ - Elsevier
Kinetic model identification relies on accurate concentration measurements and physical
constraints to limit solution multiplicity. Not having these measurements and prior knowledge …

[HTML][HTML] A review of automated and data-driven approaches for pathway determination and reaction monitoring in complex chemical systems

A Puliyanda, K Srinivasan, K Sivaramakrishnan… - Digital Chemical …, 2022‏ - Elsevier
In this work, we review the state of the art on approaches for the determination of reaction
networks and the real-time monitoring of reactions in complex chemical systems consisting …

[ספר][B] Boolean Networks as Predictive Models of Emergent Biological Behaviors

JC Rozum, C Campbell, E Newby, FSF Nasrollahi… - 2024‏ - cambridge.org
Interacting biological systems at all organizational levels display emergent behavior.
Modeling these systems is made challenging by the number and variety of biological …

Differential equations in data analysis

I Dattner - Wiley Interdisciplinary Reviews: Computational …, 2021‏ - Wiley Online Library
Differential equations have proven to be a powerful mathematical tool in science and
engineering, leading to better understanding, prediction, and control of dynamic processes …

Boolean networks as predictive models of emergent biological behaviors

JC Rozum, C Campbell, E Newby… - arxiv preprint arxiv …, 2023‏ - arxiv.org
Interacting biological systems at all organizational levels display emergent behavior.
Modeling these systems is made challenging by the number and variety of biological …

LinChemIn: SynGraph—a data model and a toolkit to analyze and compare synthetic routes

M Pasquini, M Stenta - Journal of Cheminformatics, 2023‏ - Springer
Background The increasing amount of chemical reaction data makes traditional ways to
navigate its corpus less effective, while the demand for novel approaches and instruments is …

Kinetic Modeling and Meta-Analysis of the Bacillus subtilis SigB Regulon during Spore Germination and Outgrowth

J Vohradsky, M Schwarz, O Ramaniuk… - Microorganisms, 2021‏ - mdpi.com
The exponential increase in the number of conducted studies combined with the
development of sequencing methods have led to an enormous accumulation of partially …