IUPAC definition : Computational chemistry is a discipline using mathematical methods for the calculation
of molecular properties or for the simulation of molecular behaviour. It also includes,
i e.g /i ., synthesis planning, database searching, combinatorial library manipulation.;
Computational chemistry is a discipline using mathematical methods for the calculation
of molecular properties or for the simulation of molecular behaviour. It also includes,
i e.g /i ., synthesis planning, database searching, combinatorial library manipulation.
Currated CISMeF NLP mapping