Internal validation parameters of linear regression equations in QSAR problem by Inna Khristenko, Volodymyr Ivanov

Subjects: “…quantitative structure-activity relationships (qsar)…”
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QSAR Model for Prediction of some Non-Nucleoside Inhibitors of Dengue Virus Serotype 4 NS5 using GFA-MLR Approach by Samuel Adawara, Gideon Shallangwa, Paul Mamza, Abdulkadir Ibrahim

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Two-dimensional QSAR-driven virtual screening for potential therapeutics against Trypanosoma cruzi by Naseer Maliyakkal, Sunil Kumar, Ratul Bhowmik, Harish Chandra Vishwakarma, Prabha Yadav, Bijo Mathew

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Predicting deamidation and isomerization sites in therapeutic antibodies using structure-based in silico approaches by David Hoffmann, Joschka Bauer, Markus Kossner, Andrew Henry, Anne R. Karow-Zwick, Giuseppe Licari

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Utilizing Molecular Descriptor Importance to Enhance Endpoint Predictions by Benjamin Bajželj, Marjana Novič, Viktor Drgan

Subjects: “…quantitative structure–activity relationship…”
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Kinetics of Different Substituted Phenolic Compounds’ Aqueous OH Oxidation in Atmosphere by Dandan Hu, Zixuan Wang, Eleonora Aruffo, Xuanli Dai, Zhuzi Zhao, Zhaolian Ye

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Methodology for prediction of anticancer action of (2-oxo-2H-[1,2,4]¬triazino[2,3-c]-quinazolin-6-yl)thiones via QSAR and docking studies by I. S. Nosulenko, O. Yu. Voskoboynik, O. M. Antypenko, G. G. Berest, S. I. Kovalenko

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Overview of Computational Toxicology Methods Applied in Drug and Green Chemical Discovery by Jose I. Bueso-Bordils, Gerardo M. Antón-Fos, Rafael Martín-Algarra, Pedro A. Alemán-López

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Prediction of reproductive and developmental toxicity using an attention and gate augmented graph convolutional network by Si Hoon Lee, Eunwoo Choi, JunHo Park, Seohwi Yoon, Myung-Ha Song, Ji Young Lee, Jungkwan Seo, Sun Kyung Shin, Sang Hee Lee, Han Bin Oh

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Predicting Binding Affinity of Some Imatinib Derivatives as BCR-ABL Tyrosine Kinase Inhibitors Based on Monte Carlo Optimization by Shahram Lotfi, Shahin Ahmadi, Sharare Vardast Baghmisheh, Ali Almasirad

Subjects: “…quantitative structure-activity relationship (qsar)…”
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Computer-guided design of novel nitrogen-based heterocyclic sphingosine-1-phosphate (S1P) activators as osteoanabolic agents by Rattanawan Tangporncharoen, Chuleeporn Phanus-Umporn, Supaluk Prachayasittikul, Chanin Nantasenamat, Veda Prachayasittikul, Aungkura Supokawej

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Recent Advances in Omics, Computational Models, and Advanced Screening Methods for Drug Safety and Efficacy by Ahrum Son, Jongham Park, Woojin Kim, Yoonki Yoon, Sangwoon Lee, Jaeho Ji, Hyunsoo Kim

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Integrative in Silico modeling for mTOR inhibition: From ridge classifiers to descriptor-free deep neural networks by Seyed Alireza Khanghahi, Hadi Kamkar, Seyedehsamaneh Shojaeilangari, Abdollah Allahverdi, Parviz Abdolmaleki

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Rapid discovery of Transglutaminase 2 inhibitors for celiac disease with boosting ensemble machine learning by Ibrahim Wichka, Pin-Kuang Lai

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Research on the optimization model of anti-breast cancer candidate drugs based on machine learning by Zhou Dong, Hong Chen, Yuchen Yang, Hairong Hao

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Predicting the Toxicity of Drug Molecules with Selecting Effective Descriptors Using a Binary Ant Colony Optimization (BACO) Feature Selection Approach by Yuanyuan Dan, Junhao Ruan, Zhenghua Zhu, Hualong Yu

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Sombor indices in main group metal chemistry: Computational evaluation of bismuth(iii) iodide, oxide/silicate frameworks, and dendrimers for QSAR applications by Zhang Xiujun, Noureen Sadia, Kamran Saliha, Ibrahim Sobhy M., Aslam Adnan

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