AIMC Topic: Factor Xa

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Application of Deep Neural Network Models in Drug Discovery Programs.

ChemMedChem
In silico driven optimization of compound properties related to pharmacokinetics, pharmacodynamics, and safety is a key requirement in modern drug discovery. Nowadays, large and harmonized datasets allow to implement deep neural networks (DNNs) as a ...

Factor Xa inhibitors in clinical practice: Comparison of pharmacokinetic profiles.

Drug metabolism and pharmacokinetics
BACKGROUND: The anticoagulant actions of oral direct factor Xa (FXa) inhibitors can be inferred from their observed plasma concentrations; however, the steady-state pharmacokinetics (PK) of different FXa inhibitors have not been compared in clinicall...

Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network.

Journal of medicinal chemistry
Inspecting protein and ligand electrostatic potential (ESP) surfaces in order to optimize electrostatic complementarity is a key activity in drug design. These ESP surfaces need to reflect the true electrostatic nature of the molecules, which typical...

Non-weight-based enoxaparin dosing subtherapeutic in trauma patients.

The Journal of surgical research
BACKGROUND: We report our experience dosing and monitoring enoxaparin with anti-factor Xa activity (anti-FXaA) levels for venous thromboembolism prophylaxis in trauma patients (TP).

Three-Dimensional Classification Structure-Activity Relationship Analysis Using Convolutional Neural Network.

Chemical & pharmaceutical bulletin
Quantitative structure-activity relationship (QSAR) techniques, especially those that possess three-dimensional attributes, such as the comparative molecular field analysis (CoMFA), are frequently used in modern-day drug design and other related rese...