Fast, easy-to-use, machine learning-developed models of prediction of flash point, heat of combustion, and lower and upper flammability limits for inherently safer design

What can the trove of CSB incident investigations teach us? A detailed analysis of information characteristics among chemical process incidents investigated by the CSB

(2021) Sunhwa Park et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Process systems engineering – The generation next?

(2021) E N Pistikopoulos et al.   COMPUTERS & CHEMICAL ENGINEERING

Development of machine learning based prediction models for hazardous properties of chemical mixtures

(2020) Zeren Jiao et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Developing Quantitative Structure–Property Relationship Models To Predict the Upper Flammability Limit Using Machine Learning

(2019) Shuai Yuan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Review of recent developments of quantitative structure-property relationship models on fire and explosion-related properties

(2019) Zeren Jiao et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Machine learning prediction of hydrocarbon mixture lower flammability limits using quantitative structure‐property relationship models

(2019) Zeren Jiao et al.   PROCESS SAFETY PROGRESS

Incorporating inherent safety during the conceptual process design stage: A literature review

(2019) Sunhwa Park et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Strategies to develop robust neural network models: Prediction of flash point as a case study

(2018) Amin Alibakshi   ANALYTICA CHIMICA ACTA

Prediction of lower flammability limits of blended gases based on quantitative structure–property relationship

(2018) Beibei Wang et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Prediction of upper flammability limits for fuel mixtures using quantitative structure–property relationship models

(2018) Beibei Wang et al.   CHEMICAL ENGINEERING COMMUNICATIONS

New structure-based models for the prediction of flash point of multi-component organic mixtures

(2018) Elham Torabian et al.   THERMOCHIMICA ACTA

Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction

(2017) Connor W. Coley et al.   Journal of Chemical Information and Modeling

A novel model for predicting lower flammability limits using Quantitative Structure Activity Relationship approach

(2017) Chan-Cheng Chen et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Prediction of Minimum Ignition Energy from Molecular Structure Using Quantitative Structure–Property Relationship (QSPR) Models

(2016) Beibei Wang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Group-contribution based property estimation and uncertainty analysis for flammability-related properties

(2016) Jérôme Frutiger et al.   JOURNAL OF HAZARDOUS MATERIALS

A simple and reliable method for prediction of flash point of alcohols based on their elemental composition and structural parameters

(2016) Mohammad Hossein Keshavarz et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

QSPR prediction of the hydroxyl radical rate constant of water contaminants

(2016) Tohid Nejad Ghaffar Borhani et al.   WATER RESEARCH

MNLR and ANN structural group contribution methods for predicting the flash point temperature of pure compounds in the transportation fuels range

(2015) Tareq A. Albahri   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Insight into the contribution of individual functional groups to the flash point of organic compounds

(2014) Didier Mathieu et al.   JOURNAL OF HAZARDOUS MATERIALS

Estimation of flash point and autoignition temperature of organic sulfur chemicals

(2012) Mehdi Bagheri et al.   ENERGY CONVERSION AND MANAGEMENT

Prediction of the Flash Point Temperature of Organic Compounds with the Positional Distributive Contribution Method

(2012) Qingzhu Jia et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

A simple method to evaluate, correlate and predict boiling and flash points of alkynes

(2012) Justin M. Godinho et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Development of a Simple Method to Predict Boiling Points and Flash Points of Acyclic Alkenes

(2011) Felix A. Carroll et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Simple Method to Evaluate and to Predict Flash Points of Organic Compounds

(2011) Felix A. Carroll et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Simple method for reliable predicting flash points of unsaturated hydrocarbons

(2011) Mohammad Hossein Keshavarz et al.   JOURNAL OF HAZARDOUS MATERIALS

BPSO-MLR and ANFIS based modeling of lower flammability limit

(2011) Mehdi Bagheri et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Nonlinear molecular based modeling of the flash point for application in inherently safer design

(2011) Mehdi Bagheri et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Prediction of Flash Point Temperature of Organic Compounds Using a Hybrid Method of Group Contribution + Neural Network + Particle Swarm Optimization

(2010) Juan A. Lazzús   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Improved Prediction of Hydrocarbon Flash Points from Boiling Point Data

(2010) Felix A. Carroll et al.   ENERGY & FUELS

Prediction of pure-component flash points for organic compounds

(2010) Jeffrey R. Rowley et al.   FIRE AND MATERIALS

Research Progress on Flash Point Prediction

(2010) Xinshuai Liu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Predicting the net heat of combustion of organic compounds from molecular structures based on ant colony optimization

(2010) Y. Pan et al.   JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

Estimation of the flash point of pure organic chemicals from structural contributions

(2010) J.R. Rowley et al.   PROCESS SAFETY PROGRESS

Calculating Flash Point Numbers from Molecular Structure: An Improved Method for Predicting the Flash Points of Acyclic Alkanes

(2009) Felix A. Carroll et al.   ENERGY & FUELS

QSPR Flash Point Prediction of Solvents Using Topological Indices for Application in Computer Aided Molecular Design

(2009) Suhani J. Patel et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Prediction of the Upper Flammability Limits of Organic Compounds from Molecular Structures

(2009) Yong Pan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine

(2009) Yong Pan et al.   JOURNAL OF HAZARDOUS MATERIALS

Quantitative Structure−Property Relationship for Prediction of the Lower Flammability Limit of Pure Compounds

(2008) Farhad Gharagheizi   ENERGY & FUELS

A New Neural Network−Group Contribution Method for Estimation of Flash Point Temperature of Pure Components

(2008) Farhad Gharagheizi et al.   ENERGY & FUELS

A simple equation for prediction of net heat of combustion of pure chemicals

(2007) Farhad Gharagheizi   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Prediction of Flash Point Temperature of Pure Components Using a Quantitative Structure–Property Relationship Model

(2007) Farhad Gharagheizi et al.   Quantitative structure-activity relationships & combinatorial science