Chemoinformatics and structural bioinformatics in OCaml

Autor:	Francois Berenger, Kam Y. J. Zhang, Yoshihiro Yamanishi
Jazyk:	angličtina
Rok vydání:	2019
Předmět:	Chemoinformatics Structural bioinformatics Bisector tree Scientific software Software prototyping Open source Information technology T58.5-58.64 Chemistry QD1-999
Zdroj:	Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-13 (2019)
Druh dokumentu:	article
ISSN:	1758-2946
DOI:	10.1186/s13321-019-0332-0
Popis:	Abstract Background 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. Results First, we introduce the language, list entry points for chemoinformaticians who would be interested in OCaml and give code examples. Then, we list some scientific open source software written in OCaml. We also present recent open source libraries useful in chemoinformatics. The parallelization of OCaml programs and their performance is also shown. Finally, tools and methods useful when prototyping scientific software in OCaml are given. Conclusions In our experience, OCaml is a programming language of choice for method development in chemoinformatics and structural bioinformatics.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/f62bb7266836481d89164b177e9b8300 Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
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