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Chemoinformatics and structural bioinformatics in OCaml.

Francois Berenger | Kam Y J Zhang | Yoshihiro Yamanishi
Journal of cheminformatics | 2019

OCaml is a functional programming language with strong static types, Hindley-Milner type inference and garbage collection. In this article, we share our experience in prototyping chemoinformatics and structural bioinformatics software in OCaml.

Pubmed ID: 30719579

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This is a list of tools and resources that we have found mentioned in this publication.


ChemAxon (tool)

RRID:SCR_004111

Commercial organization that provides cheminformatics software platforms, applications and services to optimize the value of chemistry information in life science and other R&D. This software enables structure visualization and management, property predictions and calculations, virtual synthesis, screening, clustering and drug design.

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OpenEye (tool)

RRID:SCR_014880

Commercial organization which provides molecular modelling and cheminformatics software to the pharmaceutical industry.

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