focus on the single-step retrosynthesis prediction that enables generating plausible reactants but is perhaps not purchasable and which are usually accompanied by a tedious process of hand-picking predictions. Therefore, the multi-step retrosynthesis prediction with pathway planning from products to access...
3D conformational alignment, pharmacophore modeling on all New Delhi metallo-β-lactamase variants and all types of metallo-β-lactamases were done. Quantum chemical perspective
Herein, we report the synthesis, a detailed photophysical study and discuss the structure-spectroscopical relationship of this probe family. The utility of the thoughtfully selected probes is demonstrated by 2PM experiments on biological samples. 2. Experimental 2.1. Materials Reagents, solvents and ...
There are no reports of Ni/LY char and limonite ore catalysts that play on production of bio-based chemical by catalytic hydrotreating of fatty acid. In this study, the low-cost catalysts of Ni/LY char and limonite were prepared to aim the feasibility of production of bio-based chemical ...
文献检索关键词:Chemical, Chemistry, Language Model, LLM, Material, GPT 本文分为化学材料+LM相关的Survey、传统语言模型、大语言模型、其他生成式模型、LLM-based Agent、目标导向的材料发现6个部分。 Survey What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks ...
record for this book is ailable from the British Library Library of Congress Cataloging-in-Publication Data A catalog record for this book is ailable from the Library of Congress ISBN: 978-0-08-096630-4 For information on all Elsevier publications visit our website at Printed and bound in ...
This paper integrates a novel coal based cogeneration system with CO2 capture for SNG and power, and presents the energetic and exergy analysis based on the thermodynamic formulas and the use of ASPEN PLUS 11.0. In the novel system, instead of separation from the gas before synthesis ...
aAn objective of the present work is to apply chemical principles to reduce the cost of a crosslinked OCP gel system that is based on acrylamide 当前工作的宗旨将申请化工原则减少根据丙烯酰胺一个被交互相联的OCP胶凝体系统的费用[translate]
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(IDC) strategy for protein miniaturization and generate five compact variants of Cas13 with full RNA binding and cleavage activity comparable the wild-type enzymes based on a combination of IDC strategy and AlphaFold2. In addition, we construct an RNA base editor, mini-Vx, and a single AAV (...