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1 . Academic Journal
Practical Aspects of Machine Learning for the Design-Synthesis-Purify-Assay Workflow
저자
by
Finton Sirockin
;
Nikolaus Stiefl
.
소스
CHIMIA, Vol 72, Iss 9 (2018)
Open Access (DOAJ)
Web of Science
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4 .
Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases
저자
by
Nello Mainolfi
;
Takeru Ehara
;
Rajeshri G. Karki
;
Karen Anderson
;
Aengus Mac Sweeney
, et al.
소스
Journal of Medicinal Chemistry
. 63:5697-5722
Web of Science
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7 .
Chemical Reactivity Prediction: Current Methods and Different Application Areas
저자
by
Peter Ertl
;
Grégori Gerebtzoff
;
Richard Lewis
;
Hagen Muenkler
;
Nadine Schneider
, et al.
소스
Molecular informaticsReferences
. 41(6)
Scopus
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7 .
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
저자
by
Finton Sirockin
;
Jean-Rémy Marchand
;
Bernard Pirard
;
Peter Ertl
.
소스
Open Access (OpenAIRE)
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6 .
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks
저자
by
Nikolaus Stiefl
;
Jean-Louis Reymond
;
Mahendra Awale
;
Finton Sirockin
.
소스
Journal of Chemical Information and Modeling
. 59:1347-1356
Web of Science
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6 .
Automatic Cavity Identification and Decomposition into Subpockets with CAVIAR
저자
by
Peter Ertl
;
Bernard Pirard
;
Finton Sirockin
;
Jean-Rémy Marchand
.
소스
Open Access (OpenAIRE)
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6 .
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
저자
by
Simone Schleeger
;
Stephanie C. Paulding
;
Lori Andrews
;
Ryann E. Swale
;
Frederic Villard
, et al.
소스
Bioorganic & Medicinal Chemistry Letters
. 28:906-909
Web of Science
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7 .
Medicinal Chemistry Database GDBMedChem
저자
by
Mahendra Awale
;
Nikolaus Stiefl
;
Finton Sirockin
;
Jean-Louis Reymond
.
소스
Open Access (OpenAIRE)
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6 .
Drug Analogs from Fragment Based Long Short-Term Memory Generative Neural Networks
저자
by
Mahendra Awale
;
Finton Sirockin
;
Nikolaus Stiefl
;
Jean-Louis Reymond
.
소스
Open Access (OpenAIRE)
요약보기
Export
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RefWorks
6 .
Structural basis of species-selective antagonist binding to the succinate receptor
저자
by
Veli-Pekka Jaakola
;
Jacques Boivineau
;
Klemens Kaupmann
;
Simona Cotesta
;
Dominique Fehlmann
, et al.
소스
Nature
. 574(7779)
Full Text (Nature)
Scopus
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