Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model

Estimation of the enthalpy of vaporization at normal boiling temperature of organic compounds by a new group contribution method

(2018) Soheil Abdi et al.   FLUID PHASE EQUILIBRIA

Generalized models for predicting the critical properties of pure chemical compounds

(2017) Amir Varamesh et al.   JOURNAL OF MOLECULAR LIQUIDS

An algorithm to identify functional groups in organic molecules

(2017) Peter Ertl   Journal of Cheminformatics

Further Development of Modified UNIFAC (Dortmund): Revision and Extension 6

(2016) Dana Constantinescu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

The group contribution method (GC) versus the critical point-based approach (CP): Predicting thermodynamic properties of weakly- and non-associated oxygenated compounds by GC-PPC-SAFT and CP-PC-SAFT

(2016) Helena Lubarsky et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Quantitative Structure–Property Relationship Predictions of Critical Properties and Acentric Factors for Pure Compounds

(2015) Wendy Hawley Carande et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Evaluation of Optimal Methods for Critical Properties and Acentric Factor of Biodiesel Compounds with Their Application on Soave–Redlich–Kwong and Peng–Robinson Equations of State

(2015) Frederico R. do Carmo et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Application of SAFT-VR Equation of State for Prediction of Thermophysical Properties of Sugar Solutions

(2015) Mojhdeh Baghbanbashi et al.   JOURNAL OF FOOD PROCESS ENGINEERING

Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds

(2015) Elena Salmina et al.   MOLECULES

Development of a New Group Contribution Method Based on GCVOL Model for the Estimation of Pure Ionic Liquid Density over a Wide Range of Temperature and Pressure

(2014) Nathan S. Evangelista et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

New Group-Contribution Parameters for the Calculation of PC-SAFT Parameters for Use at Pressures to 276 MPa and Temperatures to 533 K

(2014) Ward A. Burgess et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Estimation of densities of ionic liquids using Patel–Teja equation of state and critical properties determined from group contribution method

(2011) Chong Shen et al.   CHEMICAL ENGINEERING SCIENCE

From Structure Diagrams to Visual Chemical Patterns

(2010) Karen Schomburg et al.   Journal of Chemical Information and Modeling

QSPR study of partition coefficient (Ko/w) of some organic compounds using radial basic function-partial least square (RBF-PLS)

(2010) Nasser Goudarzi et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach

(2010) Norbert Haider   MOLECULES

Position Group Contribution Method for Predicting the Normal Boiling Point of Organic Compounds

(2009) Qiang WANG et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Group Contribution Prediction of Vapor Pressure with Statistical Associating Fluid Theory, Perturbed-Chain Statistical Associating Fluid Theory, and Elliott−Suresh−Donohue Equations of State

(2008) Fateme Sadat Emami et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

QSPR prediction of N-boiling point and critical properties of organic compounds and comparison with a group-contribution method

(2007) Davide Sola et al.   FLUID PHASE EQUILIBRIA