Assessing Graph‐based Deep Learning Models for Predicting Flash Point

Graph Convolutional Neural Networks as “General-Purpose” Property Predictors: The Universality and Limits of Applicability

(2019) Vadim Korolev et al.   Journal of Chemical Information and Modeling

PubChem 2019 update: improved access to chemical data

(2018) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Low Data Drug Discovery with One-Shot Learning

(2017) Han Altae-Tran et al.   ACS Central Science

Molecular graph convolutions: moving beyond fingerprints

(2016) Steven Kearnes et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes

(2015) Carlos Nieto-Draghi et al.   CHEMICAL REVIEWS

Predicting Boiling Points and Flash Points of Monochloroalkanes from Structure

(2014) Felix A. Carroll et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A Review of Flash Point Prediction Models for Flammable Liquid Mixtures

(2014) Li Yee Phoon et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

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

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

Illuminating Flash Point: Comprehensive Prediction Models

(2014) Tu C. Le et al.   Molecular Informatics

Predicting Flash Point of Organosilicon Compounds Using Quantitative Structure Activity Relationship Approach

(2014) Chen-Peng Chen et al.   Journal of Chemistry

A novel method for predicting the flash points of organosilicon compounds from molecular structures

(2012) Yong Pan et al.   FIRE AND MATERIALS

Flash Points of Organosilicon Compounds: How Data for Alkanes Combined with Custom Additive Fragments Can Expedite the Development of Predictive Models

(2012) Didier Mathieu   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Group Contribution Method To Predict Boiling Points and Flash Points of Alkylbenzenes

(2011) Justin M. Godinho et al.   ENERGY & FUELS

Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods

(2011) Diego Alonso Saldana et al.   ENERGY & FUELS

Prediction of Flash Points of Organosilicon Compounds by Structure Group Contribution Approach

(2011) Gow-Bin Wang 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

Chemical Name to Structure: OPSIN, an Open Source Solution

(2011) Daniel M. Lowe et al.   Journal of Chemical Information and Modeling

Improved Prediction of Hydrocarbon Flash Points from Boiling Point Data

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

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

(2010) Suhani J. Patel et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Research Progress on Flash Point Prediction

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

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