GEMINI: A Generalised Connection Table Language and Interpreter

Weininger, David; Weininger, Arthur

doi:10.1007/978-3-642-78027-1_18

Cited by 9 publications

(10 citation statements)

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“…The experimental data are presented in Table together with the structures indicated by Smiles notation . For acyclic compounds, this notation is simpler to follow than the usual IUPAC nomenclature; there is no ambiguity in how double bonds are denoted; triple bonds are indicated by the symbol #.…”

Section: Qspr For Nbps Of Acyclic Carbonyl Compoundsmentioning

confidence: 99%

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds

Balaban

Mills

Basak

1999

J. Chem. Inf. Comput. Sci.

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Acyclic saturated and unsaturated carbonyl compounds (mono- and dialdehydes, mono- and diketones, keto aldehydes, and esters of monocarboxylic acids) with various degrees of branching but devoid of hydrogen bonding were included in a quantitative structure−property relationship study for correlating chemical structure with normal boiling points. Three separate correlations are presented in terms of five topological indices: for 127 mono- and dialdehydes and -ketones, for 73 esters, and for the combined set of all 200 carbonyl compounds. Standard deviations are lower than 7 °C.

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Section: Qspr For Nbps Of Acyclic Carbonyl Compoundsmentioning

confidence: 99%

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds

Balaban

Mills

Basak

1999

J. Chem. Inf. Comput. Sci.

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“…Problem-solving methods such as genetic algorithms have been applied to reach target descriptor values, e.g., the GROK method [17].…”

Section: Resultsmentioning

confidence: 99%

Surrogate data – a secure way to share corporate data

Tetko

Abagyan

Oprea

2005

J Comput Aided Mol Des

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The privacy of chemical structure is of paramount importance for the industrial sector, in particular for the pharmaceutical industry. At the same time, companies handle large amounts of physico-chemical and biological data that could be shared in order to improve our molecular understanding of pharmacokinetic and toxicological properties, which could lead to improved predictivity and shorten the development time for drugs, in particular in the early phases of drug discovery. The current study provides some theoretical limits on the information required to produce reverse engineering of molecules from generated descriptors and demonstrates that the information content of molecules can be as low as less than one bit per atom. Thus theoretically just one descriptor can be used to completely disclose the molecular structure. Instead of sharing descriptors, we propose to share surrogate data. The sharing of surrogate data is nothing else but sharing of reliably predicted molecules. The use of surrogate data can provide the same information as the original set. We consider the practical application of this idea to predict lipophilicity of chemical compounds and we demonstrate that surrogate and real (original) data provides similar prediction ability. Thus, our proposed strategy makes it possible not only to share descriptors, but also complete collections of surrogate molecules without the danger of disclosing the underlying molecular structures.

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“…Still, a change is visible, some led by the state in the form of corrective "grooming" budget and legislation forbidding segregation and equality, and other led by private schools. As opposed to the private schools of the past, those schools use the limited freedom of the law in order to form ethnically diverse classes and schools 57 .…”

Section: Discussionmentioning

confidence: 99%

The History of Education System and Authority in Israel from the Ottoman period to our days

Peled

2020

10.14746/bhw

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During the short history of its existence, even before the state of Israel was born, the Education system in the area known today as Israel has constantly faced the challenge of providing equal, or at least somewhat state-controlled curriculum, budgeting and education in general. During the major periods of government change, various religious, socioeconomic and political groups had tried to reshape the education system to match their needs, creating schools, programs and funding plans accordingly. However, despite the evolving legislation and awareness, the Israeli Education System is heavily segregated based on religion, origins, and other factors. Whole populations are exempted by choice, or by lack of lobbying, while the main system remains to bring equity to a highly heterogenic school system. This article will show the challenges, stratification changes and shifts the system has faced on the way to provide quality education to the children of Israeli state.

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GEMINI: A Generalised Connection Table Language and Interpreter

Cited by 9 publications

References 0 publications

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds

Correlation between Structure and Normal Boiling Points of Acyclic Carbonyl Compounds

Surrogate data – a secure way to share corporate data

The History of Education System and Authority in Israel from the Ottoman period to our days

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