Results 231 to 240 of about 12,106 (297)

SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis. [PDF]

J Chem Inf Model
Phan TL, González Laffitte ME, Weinbauer K, Merkle D, Andersen JL, Fagerberg R, Gatter T, Stadler PF.   +7 more
europepmc   +1 more source

Efficacy of Inebilizumab in N‐MOmentum Trial Participants With or Without Prior Immunosuppressants

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT This post hoc analysis examined the impact of prior immunosuppressants on the long‐term efficacy and safety of inebilizumab, a cluster of differentiation 19+ B‐cell–depleting monoclonal antibody, in participants with aquaporin‐4–seropositive neuromyelitis optica spectrum disorder from the N‐MOmentum trial (NTC02200770).
Bruce A. C. Cree, Beatrice Suero, Sarah Walsh, Romain Marignier, John W. Lindsey, Ho Jin Kim, Dewei She, Daniel Cimbora, Dustin Cavida, Friedemann Paul   +9 more
wiley   +1 more source

Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templates. [PDF]

J Cheminform
Yin X, Wang X, Wu Z, Li Q, Kang Y, Deng Y, Luo P, Liu H, Shi G, Wang Z, Yao X, Hsieh CY, Hou T.   +12 more
europepmc   +1 more source

SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis. [PDF]

J Cheminform
Kogej T, Kannas C, Genheden S, Caldeweyher E, Kabeshov M.   +4 more
europepmc   +1 more source

AI-assisted interpretation of Markush structures in pharmaceutical patents: a review of emerging tools, datasets, and challenges. [PDF]

J Cheminform
Hayes JMU, Olawode EO, Andy A, Ameyaw EE.   +3 more
europepmc   +1 more source

EnzRetro: Enzymatic Retrosynthetic Planning With Site-Specific Reaction Edits Based on Sequence Generative Architecture. [PDF]

Exploration (Beijing)
Cao Y, Chen H, Zhang T, Zhao X, Li B, Zheng X.   +5 more
europepmc   +1 more source

A Multi-input Deep Learning Architecture for STAT3 Inhibitor Prediction. [PDF]

ACS Omega
Liang K, Qin W, Zhang Y.
europepmc   +1 more source

Repurposing Cofilin-Targeting Compounds for Ischemic Stroke Through Cheminformatics and Network Pharmacology. [PDF]

Pharmaceuticals (Basel)
Alaqel SI, Khan A, Alanazi MN, Nayeem N, Khaled HB, Imran M.   +5 more
europepmc   +1 more source

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Synthesis of the Isoquinocycline−Pyrrolopyrrole Substructure

Organic Letters, 2010
The synthesis of the pyrrolopyrrole substructure of the isoquinocyclines is reported. The pentacyclic (CDEFG) substructure of isoquinocycline A and B, which contains an unusual 2,4,5,6-tetrahydropyrrolo[2,3-b]pyrrole (FG) connected via an N,O-spiro acetal to the anthraquinoid core of the isoquinocycline aglycon has been synthesized.
Jens Cordes, Ulrich Koert
exaly   +3 more sources

Reduction method independent substructure synthesis

, 2008
A new general method to connect substructures is presented. With this method submodels formed with almost any reduction/substructure method and program can be connected. Also a new kind of substructure is presented. It includes not only stiffness and mass but also damping which is not assumed to be proportional to mass and stiffness. Finally a standard
Klinge, Paul
openaire   +2 more sources