Search Results - "chemical biology"

1

Data-Driven Exploration of Selectivity and Off-Target Activities of Designated Chemical Probes

by Filip Miljković, Jürgen Bajorath
Published 2018-09-01

Subjects: “...chemical biology...”

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2

Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning

by Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath
Published 2020-11-01

Subjects: “...chemical biology...”

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3

EXPLORING COMPOUND PROMISCUITY PATTERNS AND MULTI-TARGET ACTIVITY SPACES

by Ye Hu, Disha Gupta-Ostermann, Jürgen Bajorath
Published 2014-01-01

“... of polypharmacology, an emerging theme in drug discovery and chemical biology. This concise review focuses on recent...”

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4

AnalogExplorer2 – Stereochemistry sensitive graphical analysis of large analog series [version 1; referees: 2 approved]

by Ye Hu, Bijun Zhang, Martin Vogt, Jürgen Bajorath
Published 2015-10-01

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5

Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography

by Huabin Hu, Oliver Laufkötter, Filip Miljković, Jürgen Bajorath
Published 2021-04-01

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6

Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry [v1; ref status: indexed, http://f1000r.es/5ir]

by Ye Hu, Norbert Furtmann, Dagmar Stumpfe, Jürgen Bajorath
Published 2015-06-01

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7

Matched molecular pair-based data sets for computer-aided medicinal chemistry [v1; ref status: indexed, http://f1000r.es/2w9]

by Ye Hu, Antonio de la Vega de León, Bijun Zhang, Jürgen Bajorath
Published 2014-02-01

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8

Matched molecular pair-based data sets for computer-aided medicinal chemistry [v2; ref status: indexed, http://f1000r.es/309]

by Ye Hu, Antonio de la Vega de León, Bijun Zhang, Jürgen Bajorath
Published 2014-02-01

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9

Advancing the activity cliff concept, part II [v1; ref status: indexed, http://f1000r.es/34p]

by Dagmar Stumpfe, Antonio de la Vega de León, Dilyana Dimova, Jürgen Bajorath
Published 2014-03-01

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10

Activity-relevant similarity values for fingerprints and implications for similarity searching [version 1; referees: 3 approved]

by Swarit Jasial, Ye Hu, Martin Vogt, Jürgen Bajorath
Published 2016-04-01

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11

Activity-relevant similarity values for fingerprints and implications for similarity searching [version 2; referees: 3 approved]

by Swarit Jasial, Ye Hu, Martin Vogt, Jürgen Bajorath
Published 2016-04-01

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12

Identifying Promiscuous Compounds with Activity against Different Target Classes

by Christian Feldmann, Filip Miljković, Dimitar Yonchev, Jürgen Bajorath
Published 2019-11-01

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13

Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 1; referees: 2 approved]

by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
Published 2017-08-01

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14

Towards a systematic assessment of assay interference: Identification of extensively tested compounds with high assay promiscuity [version 2; referees: 3 approved]

by Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath
Published 2017-10-01

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15

Advancing the activity cliff concept [v1; ref status: indexed, http://f1000r.es/1wf]

by Ye Hu, Dagmar Stumpfe, Jürgen Bajorath
Published 2013-09-01

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16

Promiscuity progression of bioactive compounds over time [v1; ref status: indexed, http://f1000r.es/5cx]

by Ye Hu, Swarit Jasial, Jürgen Bajorath
Published 2015-05-01

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17

Computational method for the identification of third generation activity cliffs

by Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath
Published 2020-01-01

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18

High-resolution view of compound promiscuity [v1; ref status: indexed, http://f1000r.es/1dg]

by Ye Hu, Jürgen Bajorath
Published 2013-06-01

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19

High-resolution view of compound promiscuity [v2; ref status: indexed, http://f1000r.es/1ig]

by Ye Hu, Jürgen Bajorath
Published 2013-07-01

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20

Promiscuity progression of bioactive compounds over time [v2; ref status: indexed, http://f1000r.es/5h4]

by Ye Hu, Swarit Jasial, Jürgen Bajorath
Published 2015-06-01

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