Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Yvonne C Martin; Ruben Abagyan; György G. Ferenczy; Val J Gillet; Tudor I Oprea; Johan Ulander; David Winkler; Nicolai S Zefirov

doi:10.1515/pac-2012-1204

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Yvonne C Martin, Ruben Abagyan, György G. Ferenczy, Val J Gillet, Tudor I Oprea, Johan Ulander, David Winkler, Nicolai S Zefirov

Research output: Contribution to journal › Article › Other › peer-review

19 Citations (Scopus)

Abstract

Computational drug design is a rapidly changing field that plays an increasingly important role in medicinal chemistry. Since the publication of the first glossary in 1997, substantial changes have occurred in both medicinal chemistry and computational drug design. This has resulted in the use of many new terms and the consequent necessity to update the previous glossary. For this purpose a Working Party of eight experts was assembled. They produced explanatory definitions of more than 150 new and revised terms.

Original language	English
Pages (from-to)	239-264
Number of pages	26
Journal	Pure and Applied Chemistry
Volume	88
Issue number	3
DOIs	https://doi.org/10.1515/pac-2012-1204
Publication status	Published - 1 Mar 2016
Externally published	Yes

Keywords

chemoinformatics
computational chemistry
computer modeling
computer models
computer-aided molecular design
drug design
drug discovery
IUPAC Chemistry and Human Health Division
QSAR

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1515/pac-2012-1204

Cite this

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abstract = "Computational drug design is a rapidly changing field that plays an increasingly important role in medicinal chemistry. Since the publication of the first glossary in 1997, substantial changes have occurred in both medicinal chemistry and computational drug design. This has resulted in the use of many new terms and the consequent necessity to update the previous glossary. For this purpose a Working Party of eight experts was assembled. They produced explanatory definitions of more than 150 new and revised terms.",

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AU - Martin, Yvonne C

AU - Abagyan, Ruben

AU - Ferenczy, György G.

AU - Gillet, Val J

AU - Oprea, Tudor I

AU - Ulander, Johan

AU - Winkler, David

AU - Zefirov, Nicolai S

PY - 2016/3/1

Y1 - 2016/3/1

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AB - Computational drug design is a rapidly changing field that plays an increasingly important role in medicinal chemistry. Since the publication of the first glossary in 1997, substantial changes have occurred in both medicinal chemistry and computational drug design. This has resulted in the use of many new terms and the consequent necessity to update the previous glossary. For this purpose a Working Party of eight experts was assembled. They produced explanatory definitions of more than 150 new and revised terms.

KW - chemoinformatics

KW - computational chemistry

KW - computer modeling

KW - computer models

KW - computer-aided molecular design

KW - drug design

KW - drug discovery

KW - IUPAC Chemistry and Human Health Division

KW - QSAR

UR - https://www.scopus.com/pages/publications/84962526213

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VL - 88

SP - 239

EP - 264

JO - Pure and Applied Chemistry

JF - Pure and Applied Chemistry

IS - 3

ER -

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Abstract

Keywords

UN SDGs

Access to Document

Other files and links

Herman Skolnik award from the American Chemical Society

Cite this

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Abstract

Keywords

UN SDGs

Access to Document

Other files and links

Prizes

Herman Skolnik award from the American Chemical Society

Cite this