Reaction path synthesis for environmental impact minimization

Computer-Assisted Design of Complex Organic Syntheses

E. J. Corey, W. Todd Wipke · Science · 1969 · 718 citations

Natural Sciences, Chemical Engineering, Chemistry +14

A group contribution approach to computer‐aided molecular design

Rafiqul Gani, Bjarne Nielsen, Aage Fredenslund · AIChE Journal · 1991 · 262 citations

Natural Sciences, Chemistry, Computational Chemistry +5

Estimation of the free enthalpy (Gibbs free energy) of formation of organic compounds from group contributions

D.W. Van Krevelen, H. A. G. Chermin · Chemical Engineering Science · 1951 · 113 citations

Natural Sciences, Biochemistry, Chemistry +17

Application of the group contribution method for predicting the toxicity of organic chemicals

Chao Gao, Rakesh Govind, Henry H. Tabak · Environmental Toxicology and Chemistry · 1992 · 72 citations

Pharmacy, Chemistry, Toxicology +9

Computer aided product design: problem formulations, methodology and applications

Leonidas Constantinou, Khosrow Bagherpour, Rafiqul Gani et al. · Computers & Chemical Engineering · 1996 · 71 citations

Architecture, Computational Engineering, Manufacturing Engineering +13