Search Results - "medicinal chemistry"

1

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

“...Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound...”

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2

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

“...Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound...”

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3

Compound data sets and software tools for chemoinformatics and medicinal chemistry applications...

by Ye Hu, Jürgen Bajorath
Published 2014-03-01

“... and computational medicinal chemistry applications. These data sets and computational tools were provided...”

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4

Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, http://f1000r.es/Mu9krs]

by Ye Hu, Jurgen Bajorath
Published 2012-08-01

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5

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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6

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

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

“...The activity cliff concept has experienced increasing interest in medicinal chemistry...”

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7

EXPLORING COMPOUND PROMISCUITY PATTERNS AND MULTI-TARGET ACTIVITY SPACES

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

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8

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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9

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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10

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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11

Analyzing compound activity records and promiscuity degrees in light of publication statistics [version 1; referees: 2 approved]

by Ye Hu, Jürgen Bajorath
Published 2016-06-01

“... characteristic feature of the medicinal chemistry literature....”

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12

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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13

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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14

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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15

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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16

Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]

by Ye Hu, Jürgen Bajorath
Published 2014-11-01

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17

Monitoring drug promiscuity over time [v1; ref status: indexed, http://f1000r.es/4bh]

by Ye Hu, Jürgen Bajorath
Published 2014-09-01

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