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Molecular structure

LSTM-driven drug design using SELFIES for target-focused de novo generation of HIV-1 protease inhibitor candidates for AIDS treatment

M. Taleb Albrijawi, Reda Alhajj

The study of pentagonal chain with respect to schultz index, modified schultz index, schultz polynomial and modified schultz polynomial

Guofeng Yu, Shahid Zaman, Mah Jabeen, Xuewu Zuo

Deep graph contrastive learning model for drug-drug interaction prediction

Zhenyu Jiang, Zhi Gong, [ ... ], Cong Shen

Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale

Juliana Auzier Seixas Feio, Ewerton Cristhian Lima de Oliveira, [ ... ], Anderson Henrique Lima e Lima

Modeling transthyretin (TTR) amyloid diseases, from monomer to amyloid fibrils

Richard S. Criddle, Lee D. Hansen, Brian F. Woodfield, H. Dennis Tolley

The active time model of concurrent choice

J. Mark Cleaveland

Cassini-oval description of atomic binding: New insights into the quantitative relationship between hardness coefficient and bond energy energy

Weicheng Zeng

GraphMHC: Neoantigen prediction model applying the graph neural network to molecular structure

Hoyeon Jeong, Young-Rae Cho, [ ... ], Dae Ryong Kang

Building an ab initio solvated DNA model using Euclidean neural networks

Alex J. Lee, Joshua A. Rackers, Shivesh Pathak, William P. Bricker

Effect of growing regions on morphological characteristics, protein subfractions, rumen degradation and molecular structures of various whole-plant silage corn cultivars

Xinyue Zhang, Nazir Ahmad Khan, [ ... ], Hangshu Xin

On analysis of iron (II) chloride via graph entropy measures and statistical models

Hao Zhou, Muhammad Farhan Hanif, [ ... ], Samuel Asefa Fufa

Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices

Xuewu Zuo, Maryam Akhtar, [ ... ], Salma Kanwal

Study on rheological properties of POE/VO compound recycled asphalt

Hua Mei, Zhaoxia Hu, [ ... ], Lei Yu

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