Results 171 to 180 of about 252,758 (328)

QSAR modeling of anxiolytic activity taking into account the presence of keto- and enol-tautomers by balance of correlations with ideal slopes

open access: yesOpen Chemistry, 2011
Toropova Alla.   +5 more
doaj   +1 more source

Large Language Model Agent for Modular Task Execution in Drug Discovery. [PDF]

open access: yesJ Chem Inf Model
Ock J   +5 more
europepmc   +1 more source

Practical consensus recommendations for polytherapy involving stiripentol in Dravet syndrome: A nominal group approach

open access: yesEpilepsia Open, EarlyView.
Abstract Objectives Dravet syndrome (DS) is a drug‐resistant developmental and epileptic encephalopathy, often requiring three or more antiseizure medications (ASMs). Consequently, the therapeutic landscape is highly complex, combining DS‐specific agents (stiripentol, STP; cannabidiol, CBD; fenfluramine, FFA), non‐specific ASMs, and non‐pharmacologic ...
J. Helen Cross   +4 more
wiley   +1 more source

QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

open access: yesOpen Chemistry, 2011
Toropova Alla   +3 more
doaj   +1 more source

EnzRetro: Enzymatic Retrosynthetic Planning With Site‐Specific Reaction Edits Based on Sequence Generative Architecture

open access: yesExploration, EarlyView.
EnzRetro bridges retrosynthesis planning and enzymatic engineering through site‐specific reaction edits. This end‐to‐end framework integrates pathway synthesis and enzyme identification into a unified process, achieving superior accuracy and enabling the efficient reconstruction of diverse biosynthetic pathways.
Yahui Cao   +5 more
wiley   +1 more source

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