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Smiles Arbitrary Target Specification

Known as: SMARTS 
A language used for describing molecular patterns and properties.
National Institutes of Health

Papers overview

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Highly Cited
2018
Highly Cited
2018
RetroRules: a database of reaction rules for engineering biology
Abstract RetroRules is a database of reaction rules for metabolic engineering (https://retrorules.org). Reaction rules are… 
Highly Cited
2016
Highly Cited
2016
Neural Networks for the Prediction of Organic Chemistry Reactions
Reaction prediction remains one of the major challenges for organic chemistry and is a prerequisite for efficient synthetic… 
Highly Cited
2015
Highly Cited
2015
Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds
The article describes a classification system termed “extended functional groups” (EFG), which are an extension of a set… 
Highly Cited
2015
Highly Cited
2015
QUASI-PERIODICITIES AT YEAR-LIKE TIMESCALES IN BLAZARS
We searched for quasi-periodicities on year-like timescales in the light curves of six blazars in the optical—near-infrared bands… 
Highly Cited
2012
Highly Cited
2012
Designing a pilot sequential multiple assignment randomized trial for developing an adaptive treatment strategy
There is growing interest in how best to adapt and readapt treatments to individuals to maximize clinical benefit. In response… 
Review
2008
Review
2008
THE BROWN DWARF KINEMATICS PROJECT I. PROPER MOTIONS AND TANGENTIAL VELOCITIES FOR A LARGE SAMPLE OF LATE-TYPE M, L, AND T DWARFS
We report proper-motion measurements for 427 late-type M, L, and T dwarfs, 332 of which have been measured for the first time… 
Highly Cited
2008
Highly Cited
2008
Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
Skin sensitisation is a key endpoint under REACH as it is costly and its assessment currently has a high dependency on animal… 
Highly Cited
2008
Highly Cited
2008
SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries
SYBYL line notation (SLN) is a powerful way to represent molecular structures, reactions, libraries of structures, molecular… 
Highly Cited
2008
Highly Cited
2008
X-Ray and Optical Microlensing in the Lensed Quasar PG 1115+080
We analyzed the microlensing of the X-ray and optical emission of the lensed quasar PG 1115+080. We find that the effective… 
Highly Cited
2007
Highly Cited
2007
The impact of buccal corridors on smile attractiveness.
The aim of this study was to assess the impact of various sized buccal corridors (BCs) on smile attractiveness. One female… 
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