Ecosyste.ms: Papers

10.1590/1414-431X20165644

Non-clinical studies required for new drug development - Part I: early in silico and in vitro studies, new target discovery and validation, proof of principles and robustness of animal studies
Cited by: 47
Author(s): Emma Andrade, Allisson Freire Bento, Juliana Cavalli, Sheila Knupp Feitosa de Oliveira, Camila S. Freitas, Rodrigo Marcon, Raquel Cristina Schwanke, Jarbas Mota Siqueira, João B. Calixto
Software Mentions: 1
Published: almost 9 years ago

10.3390/ijms22179351

Supercritical Antisolvent Fractionation of Antioxidant Compounds from Salvia officinalis
Cited by: 1
Author(s): Raquel Mur, Juan I. Pardo, María Rosa Pino-Otín, José S. Urieta, Ana M. Mainar
Software Mentions: 1
Published: about 3 years ago

10.1186/s12859-015-0650-9

Deciding when to stop: efficient experimentation to learn to predict drug-target interactions
Cited by: 8
Author(s): Maja Temerinac-Ott, Armaghan W. Naik, Robert F. Murphy
Software Mentions: 1
Published: over 9 years ago

10.1186/s13321-016-0164-0

An ensemble model of QSAR tools for regulatory risk assessment
Cited by: 41
Author(s): Prachi Pradeep, Richard J. Povinelli, Shannon White, Stephen J. Merrill
Software Mentions: 1
Published: about 8 years ago

10.1186/1471-2105-11-S8-S4

Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization
Cited by: 0
Author(s): Y. T. Eddie, Christopher J. F. Cameron, Stefan C. Kremer
Software Mentions: 1
Published: about 14 years ago

10.1186/s13321-018-0263-1

OPERA models for predicting physicochemical properties and environmental fate endpoints
Cited by: 274
Author(s): Kamel Mansouri, Christopher M. Grulke, Richard S. Judson, Antony J. Williams
Software Mentions: 1
Published: over 6 years ago

10.1186/s13321-018-0299-2

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
Cited by: 51
Author(s): Andrew D. McEachran, Kamel Mansouri, Christopher M. Grulke, Emma L. Schymanski, Christoph Ruttkies, Antony J. Williams
Software Mentions: 1
Published: about 6 years ago

10.1155/2014/642798

Chondroitin Sulfate Proteoglycans: Structure-Function Relationship with Implication in Neural Development and Brain Disorders
Cited by: 61
Author(s): Speranța Avram, Sergey Shaposhnikov, Cătălin Buiu, Maria Mernea
Software Mentions: 1
Published: almost 11 years ago

10.1155/2017/4914272

A QSAR Study Based on SVM for the Compound of Hydroxyl Benzoic Esters
Cited by: 5
Author(s): Li Wen, Qing Li, Wei Li, Qiao Cai, Yongming Cai
Software Mentions: 1
Published: almost 8 years ago

10.3390/ijms21155576

The Literature of Chemoinformatics: 1978–2018
Cited by: 9
Author(s): Peter Willett
Software Mentions: 1
Published: over 4 years ago

10.6026/97320630014167

Computer-Aided Multi-Target Management of Emergent Alzheimer’s Disease
Cited by: 2
Author(s): Hyun‐Jo Kim, Hyun Wook Han
Software Mentions: 1
Published: over 6 years ago

10.1093/bioinformatics/btab301

Optimizing blood–brain barrier permeation through deep reinforcement learning for <i>de novo</i> drug design
Cited by: 13
Author(s): Tiago Pereira, Maryam Abbasi, José Luís Oliveira, Bernardete Ribeiro, Joel P. Arrais
Software Mentions: 1
Published: over 3 years ago

10.1042/BCJ20200781

Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently
Cited by: 24
Author(s): Douglas B. Kell, Soumitra Samanta, Neil Swainston
Software Mentions: 1
Published: almost 4 years ago

10.1186/1471-2164-14-S8-S10

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors
Cited by: 16
Author(s): Chetna Tyagi, Sonam Grover, Jaspreet Kaur Dhanjal, Sumit Goyal, Manisha Goyal, Abhinav Grover
Software Mentions: 1
Published: almost 11 years ago

10.1007/s10822-013-9635-9

2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein
Cited by: 17
Author(s): Ishrat Jabeen, Penpun Wetwitayaklung, Peter Chiba, Manuel Pastor, Gerhard F. Ecker
Software Mentions: 1
Published: almost 12 years ago

10.1007/s10822-013-9639-5

QSAR with experimental and predictive distributions: an information theoretic approach for assessing model quality
Cited by: 32
Author(s): David Wood, Lars Carlsson, Martin Eklund, Ulf Norinder, Jonna Stålring
Software Mentions: 1
Published: over 11 years ago

10.1007/s10822-014-9808-1

Benefits of statistical molecular design, covariance analysis, and reference models in QSAR: a case study on acetylcholinesterase
Cited by: 14
Author(s): C. David Andersson, J. Mikael Hillgren, Cecilia M. Lindgren, Weixing Qian, Christine Akfur, Lotta Berg, Fredrik Ekström, Anna Linusson
Software Mentions: 1
Published: about 10 years ago

10.1080/14756366.2019.1702655

Synthesis and biological evaluation of novel (<i>E</i>)-<i>N'</i>-benzylidene hydrazides as novel c-Met inhibitors through fragment based virtual screening
Cited by: 6
Author(s): Jing-wei Liang, Shilong Li, Shan Wang, Wan-Qiu Li, Fan‐hao Meng
Software Mentions: 1
Published: almost 5 years ago

10.3390/polym12051005

An Integrated High Throughput Experimentation/Predictive QSAR Modeling Approach to ansa-Zirconocene Catalysts for Isotactic Polypropylene
Cited by: 25
Author(s): Christian Ehm, Antonio Vittoria, Georgy P. Goryunov, Vyatcheslav V. Izmer, Dmitry S. Kononovich, Oleg V. Samsonov, Rocco Di Girolamo, Peter H. M. Budzelaar, Alexander Z. Voskoboynikov, Vincenzo Busico, Dmitry V. Uborsky, Roberta Cipullo
Software Mentions: 1
Published: over 4 years ago

10.1016/j.yrtph.2017.08.019

Investigating the state of physiologically based kinetic modelling practices and challenges associated with gaining regulatory acceptance of model applications
Cited by: 40
Author(s): Alicia Paini, Jeremy A. Leonard, Tomáš Kliment, Yu‐Mei Tan, Andrew Worth
Software Mentions: 1
Published: about 7 years ago

10.3797/scipharm.1012-08

Neglected Disease – African Sleeping Sickness: Recent Synthetic and Modeling Advances
Cited by: 6
Author(s): Sarvesh Paliwal, Ankita Narayan Verma, Sunil Paliwal
Software Mentions: 1
Published: almost 14 years ago

10.3797/scipharm.1112-21

A QSAR Study of Matrix Metalloproteinases Type 2 (MMP-2) Inhibitors with Cinnamoyl Pyrrolidine Derivatives
Cited by: 10
Author(s): Eduardo Borges de Melo
Software Mentions: 1
Published: almost 13 years ago

10.3797/scipharm.1112-09

Pharmacophore Identification and QSAR Studies on Substituted Benzoxazinone as Anti-Platelet Agents: kNN-MFA Approach
Cited by: 6
Author(s): Prafulla B. Choudhari, Meenakshi Bhatia, Swapnil Jadhav
Software Mentions: 1
Published: almost 13 years ago

10.1038/srep15778

Association analyses of large-scale glycan microarray data reveal novel host-specific substructures in influenza A virus binding glycans
Cited by: 17
Author(s): Nan Zhao, Brigitte E. Martin, Wen-Chi Yang, Feng Luo, Xiu‐Feng Wan
Software Mentions: 1
Published: about 9 years ago

10.1038/srep31247

Novel ligands of Choline Acetyltransferase designed by in silico molecular docking, hologram QSAR and lead optimization
Cited by: 23
Author(s): Rajnish Kumar, Bengt Långström, Taher Darreh‐Shori
Software Mentions: 1
Published: over 8 years ago

10.3390/ijms21176411

Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens
Cited by: 4
Author(s): Anna Mazurek, Łukasz Szeleszczuk, Thomas Simonson, Dariusz Maciej Pisklak
Software Mentions: 1
Published: about 4 years ago

10.1038/srep38144

G4IPDB: A database for G-quadruplex structure forming nucleic acid interacting proteins
Cited by: 86
Author(s): Subodh Kumar Mishra, Arpita Tawani, Amit Kumar Mishra, Amit Kumar
Software Mentions: 1
Published: almost 8 years ago

10.1038/s41598-017-19122-y

Quantitative Structure-Activity Relationship Model for HCVNS5B inhibitors based on an Antlion Optimizer-Adaptive Neuro-Fuzzy Inference System
Cited by: 16
Author(s): Mohamed Abd Elaziz, Yasmine S. Moemen, Aboul Ella Hassanien, Shengwu Xiong
Software Mentions: 1
Published: almost 7 years ago

10.1186/1471-2105-12-S1-S28

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies
Cited by: 63
Author(s): John Strouboulis, Sundarapandian Thangapandian, Sugunadevi Sakkiah, Keun Woo Lee
Software Mentions: 1
Published: almost 14 years ago

10.1038/s41598-020-71502-z

Hybrid Harris hawks optimization with cuckoo search for drug design and discovery in chemoinformatics
Cited by: 70
Author(s): Essam H. Houssein, Mosa E. Hosney, Mohamed Elhoseny, Diego Oliva, Waleed M. Mohamed, M. Hassaballah
Software Mentions: 1
Published: about 4 years ago

10.3390/ijms221910396

Design, Synthesis, Biological Evaluation, 2D-QSAR Modeling, and Molecular Docking Studies of Novel 1H-3-Indolyl Derivatives as Significant Antioxidants
Cited by: 28
Author(s): Maged A. Aziz, Wesam S. Shehab, Ahmed A. Al‐Karmalawy, Ahmed F. El‐Farargy, Magda H. Abdellattif
Software Mentions: 1
Published: about 3 years ago

10.1038/s41598-021-84748-y

Molecular docking, pharmacokinetic studies, and in vivo pharmacological study of indole derivative 2-(5-methoxy-2-methyl-1H-indole-3-yl)-N′-[(E)-(3-nitrophenyl) methylidene] acetohydrazide as a promising chemoprotective agent against cisplatin induced organ damage
Cited by: 15
Author(s): Suhail Razak, Tayyaba Afsar, Nousheen Bibi, Mahmoud M. A. Abulmeaty, Wajhul Qamar, Ali Almajwal, Anam Inam, Dara Al Disi, Maria Shabbir, M. A. Bhat
Software Mentions: 1
Published: over 3 years ago

10.1155/2014/745649

Structure-Activity Relationship for Fe(III)-Salen-Like Complexes as Potent Anticancer Agents
Cited by: 4
Author(s): Zahra Ghanbari, Mohammad Reza Housaindokht, Mohammad Izadyar, Mohammad Reza Bozorgmehr, Hossein Eshtiagh‐Hosseini, Ahmad Reza Bahrami, Maryam Moghaddam Matin, Maliheh Javan Khoshkholgh
Software Mentions: 1
Published: almost 11 years ago

10.1016/j.toxrep.2020.08.014

Predicting PBT and CMR properties of substances of very high concern (SVHCs) using QSAR models, and application for K-REACH
Cited by: 3
Author(s): Joonsik Moon, Byongcheun Lee, Jin-Sung Ra, Ki-Tae Kim
Software Mentions: 1
Published: almost 5 years ago

10.1007/s00204-021-03035-x

Integration of data across toxicity endpoints for improved safety assessment of chemicals: the example of carcinogenicity assessment
Cited by: 14
Author(s): Federica Madia, Gelsomina Pillo, Andrew Worth, Raffaella Corvi, Pilar Prieto
Software Mentions: 1
Published: over 3 years ago

10.1155/2014/739646

Molecular Modeling Studies of Thiophenyl C-Aryl Glucoside SGLT2 Inhibitors as Potential Antidiabetic Agents
Cited by: 13
Author(s): Mukesh C. Sharma, Saksham Sharma
Software Mentions: 1
Published: almost 10 years ago

10.3390/ijms22105212

Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?
Cited by: 10
Author(s): Andrzej Bąk
Software Mentions: 1
Published: over 3 years ago

10.22037/ijpr.2019.1100746

Molecular Docking and QSAR Study of 2-Benzoxazolinone, Quinazoline and Diazocoumarin Derivatives as Anti-HIV-1 Agents.
Cited by: 6
Author(s): Kamyar Kamyar, Mahdieh Safakish, Tannaz Zebardast, Zahra Hajimahdi, Afshin Zarghi
Software Mentions: 1
Published: almost 6 years ago

10.3390/ijerph120201112

The Biomechanisms of Metal and Metal-Oxide Nanoparticles’ Interactions with Cells
Cited by: 76
Author(s): Sondra S. Teske, Corrella S. Detweiler
Software Mentions: 1
Published: almost 10 years ago

10.3390/ijms22136695

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances
Cited by: 3
Author(s): Alfonso T. García-Sosa, Uko Maran
Software Mentions: 1
Published: over 3 years ago

10.3390/ijerph13111141

QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs
Cited by: 7
Author(s): Fuhang Song, Anling Zhang, Hui Liang, Lianhua Cui, Wenlian Li, Hongzong Si, Yun‐Bo Duan, Hong Lin Zhai
Software Mentions: 1
Published: about 8 years ago

10.1007/s00894-017-3489-3

What do docking and QSAR tell us about the design of HIV-1 reverse transcriptase nonnucleoside inhibitors?
Cited by: 7
Author(s): Agata Paneth, W Płonka, Piotr Paneth
Software Mentions: 1
Published: about 7 years ago

10.3390/ijms10031193

Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
Cited by: 28
Author(s): Mihai V. Putz, Ana-Maria Putz, Marius Lazea, Luciana Ienciu, Adrian Chiriac
Software Mentions: 1
Published: over 15 years ago

10.3390/ijms11030880

QSAR Studies on Andrographolide Derivatives as α-Glucosidase Inhibitors
Cited by: 16
Author(s): Jun Xu, Sichao Huang, Hai‐Bin Luo, LI Guo-ji, Jiaolin Bao, Shaohui Cai, Yuqiang Wang
Software Mentions: 1
Published: over 14 years ago

10.1155/2019/7283104

The Alexipharmic Mechanisms of Five Licorice Ingredients Involved in CYP450 and Nrf2 Pathways in Paraquat-Induced Mice Acute Lung Injury
Cited by: 15
Author(s): Zi-Jing Liu, Jing Zhong, Mei Zhang, Zehui Chen, Ji-Ye Wang, Hanying Chen, Xiaoqin Wang, Bo Zhang
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules21101297

Mining Chromatographic Enantioseparation Data Using Matched Molecular Pair Analysis
Cited by: 7
Author(s): Robert P. Sheridan, Patrick Piras, Edward C. Sherer, Christian Roussel, William H. Pirkle, Christopher J. Welch
Software Mentions: 1
Published: about 8 years ago

10.3390/molecules17056126

A QSAR Study of Environmental Estrogens Based on a Novel Variable Selection Method
Cited by: 11
Author(s): Zhongsheng Yi, Aiqian Zhang
Software Mentions: 1
Published: over 12 years ago

10.3390/molecules22111848

The Forty-Sixth Euro Congress on Drug Synthesis and Analysis: Snapshot †
Cited by: 3
Author(s): Pavel Mučaji, Atanas G. Atanasov, Andrzej Bąk, Violetta Kozik, Karolina Sieroń, Mark Olsen, Weidong Pan, Yazhou Liu, Shengchao Hu, Junjie Lan, N. Haider, Robert Musioł, Ján Vančo, Marc Diederich, Seungwon Ji, Jan Zítko, Dongdong Wang, Danica Agbaba, Katarina Nikolic, Slavica Oljačić, Jelica Vučićević, Daniela Ježová, Anna Tsantili‐Kakoulidou, Fotios Tsopelas, Constantinos Giaginis, Teresa Kowalska, Mieczysław Sajewicz, Jerzy Silberring, Przemysław Mielczarek, Marek Smoluch, Izabela Jendrzejewska, Jarosław Polański, Josef Jampílek
Software Mentions: 1
Published: about 7 years ago

10.3390/molecules25030665

In Silico Strategies in Tuberculosis Drug Discovery
Cited by: 43
Author(s): Stephani Joy Y. Macalino, Junie B. Billones, Voltaire G. Organo, Maria Constancia O. Carrillo
Software Mentions: 1
Published: almost 5 years ago

10.3390/molecules25225277

Machine Learning Methods in Drug Discovery
Cited by: 143
Author(s): Lauv Patel, Tripti Shukla, Xiuzhen Huang, David W. Ussery, Shanzhi Wang
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules171012243

Identification of Fungicidal 2,6-Disubstituted Quinolines with Activity against Candida Biofilms
Cited by: 9
Author(s): Nicolas Delattin, Dorothée Bardiot, Arnaud Marchand, Patrick Chaltin, Klaas De Brucker, Bruno P. A. Cammue, Karin Thevissen
Software Mentions: 1
Published: about 12 years ago

10.3390/molecules22030363

An Investigation on the Quantitative Structure-Activity Relationships of the Anti-Inflammatory Activity of Diterpenoid Alkaloids
Cited by: 12
Author(s): Li Xiao, Ning Li, Zhenyu Sui, Kaishun Bi, Zuojing Li
Software Mentions: 1
Published: over 7 years ago

10.3390/ijms22158352

Mechanistic and Predictive QSAR Analysis of Diverse Molecules to Capture Salient and Hidden Pharmacophores for Anti-Thrombotic Activity
Cited by: 3
Author(s): Magdi E. A. Zaki, Sami A. Al‐Hussain, Vijay H. Masand, Manoj K Sabnani, Abdul Samad
Software Mentions: 1
Published: over 3 years ago

10.3390/ph3103167

Dual Allosteric Effect in Glycine/NMDA Receptor Antagonism: A Comparative QSAR Approach
Cited by: 5
Author(s): Manish Sharma, Vipul Gupta
Software Mentions: 1
Published: about 14 years ago

10.1002/prp2.332

Ethics of animal research in human disease remediation, its institutional teaching; and alternatives to animal experimentation
Cited by: 52
Author(s): Rajkumar Cheluvappa, Paul Scowen, Rajaraman Eri
Software Mentions: 1
Published: over 7 years ago

10.3390/ijms12053018

Investigations on Inhibitors of Hedgehog Signal Pathway: A Quantitative Structure-Activity Relationship Study
Cited by: 5
Author(s): Ruixin Zhu, Qi Liu, Jian Tang, Hui‐Liang Li, Zhiwei Cao
Software Mentions: 1
Published: over 13 years ago

10.3390/ijms12085304

Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor
Cited by: 45
Author(s): Chia Hsien Lee, Hsuan‐Cheng Huang, Hsueh‐Fen Juan
Software Mentions: 1
Published: over 13 years ago

10.1371/journal.pone.0189538

Ensemble learning method for the prediction of new bioactive molecules
Cited by: 21
Author(s): Lateefat Temitope Afolabi, Faisal Saeed, Haslinda Hashim, Olutomilayo Olayemi Petinrin
Software Mentions: 1
Published: almost 7 years ago

10.1371/journal.pone.0192176

A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents
Cited by: 15
Author(s): Yunierkis Pérez-Castillo, Aminael Sánchez-Rodríguez, Eduardo Tejera, Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália D. S. Cordeiro, Huong Le-Thi-Thu, Hai Pham-The
Software Mentions: 1
Published: almost 7 years ago

10.3390/ijms12118161

In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors
Cited by: 7
Author(s): Hao Ming, Xiaole Zhang, Hong Ren, Yan Li, Shuwei Zhang, Fang Luo, Mingjuan Ji, Guohui Li, Lu Yang
Software Mentions: 1
Published: about 13 years ago

10.1371/journal.pone.0213848

QSAR modelling of a large imbalanced aryl hydrocarbon activation dataset by rational and random sampling and screening of 80,086 REACH pre-registered and/or registered substances
Cited by: 16
Author(s): Kyrylo Klimenko, Sine Abildgaard Rosenberg, Marianne Dybdahl, Eva Bay Wedebye, Nikolai Georgiev Nikolov
Software Mentions: 1
Published: over 5 years ago

10.1371/journal.pone.0105127

Potential of 2-Hydroxy-3-Phenylsulfanylmethyl-[1,4]-Naphthoquinones against Leishmania (L.) infantum: Biological Activity and Structure-Activity Relationships
Cited by: 34
Author(s): Érika G. Pinto, Isabela O. Santos, Thomas J. Schmidt, Samanta Etel Treiger Borborema, Vı́tor F. Ferreira, David R. da Rocha, André G. Tempone
Software Mentions: 1
Published: about 10 years ago

10.1371/journal.pone.0011055

Does Applicability Domain Exist in Microarray-Based Genomic Research?
Cited by: 5
Author(s): Li Shao, Leihong Wu, Hong Fang, Weida Tong, Xiaohui Fan
Software Mentions: 1
Published: over 14 years ago

10.3390/ijms12128626

Validation of Quantitative Structure-Activity Relationship (QSAR) Model for Photosensitizer Activity Prediction
Cited by: 28
Author(s): Neni Frimayanti, Mun Li Yam, Hong Boon Lee, Rozana Othman, Sharifuddin M. Zain, Noorsaadah Abd. Rahman
Software Mentions: 1
Published: almost 13 years ago

10.1371/journal.pone.0087960

Development of a Human Dihydroorotate Dehydrogenase (hDHODH) Pharma-Similarity Index Approach with Scaffold-Hopping Strategy for the Design of Novel Potential Inhibitors
Cited by: 6
Author(s): Kuei-Chung Shih, Chi-Ching Lee, Chia-Lung Tsai, Lin Ye, Chuan‐Yi Tang
Software Mentions: 1
Published: almost 11 years ago

10.1371/journal.pone.0189580

Identification of potential antimicrobials against Salmonella typhimurium and Listeria monocytogenes using Quantitative Structure-Activity Relation modeling
Cited by: 4
Author(s): Ethan Rath, Hunter Gill, Yongsheng Bai
Software Mentions: 1
Published: almost 7 years ago

10.3390/ijms12129533

Introducing Catastrophe-QSAR. Application on Modeling Molecular Mechanisms of Pyridinone Derivative-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors
Cited by: 8
Author(s): Mihai V. Putz, Marius Lazea, Ana-Maria Putz, Corina Duda-Seiman
Software Mentions: 1
Published: almost 13 years ago

10.1007/s11696-017-0215-7

SCRAMBLE’N’GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models
Cited by: 20
Author(s): Piotr F. J. Lipiński, Przemysław Szurmak
Software Mentions: 1
Published: over 7 years ago

10.1186/1752-153X-4-S1-S5

Global QSAR models of skin sensitisers for regulatory purposes
Cited by: 51
Author(s): Qasim Chaudhry, Nadège Piclin, J. Cotterill, Marco Pintore, Nicholas R. Price, Jacques R. Chrétien, Alessandra Roncaglioni
Software Mentions: 1
Published: over 14 years ago

10.3390/ijms130911210

A Combination of 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation Studies of Benzimidazole-Quinolinone Derivatives as iNOS Inhibitors
Cited by: 10
Author(s): Hao Zhang, Jinhang Zan, Guangyun Yu, Ming Jiang, Peixun Liu
Software Mentions: 1
Published: about 12 years ago

10.1186/1752-153X-6-159

Use and perceived benefits and barriers of QSAR models for REACH: findings from a questionnaire to stakeholders
Cited by: 9
Author(s): Claire Mays, Emilio Benfenati, Simon Pardoe
Software Mentions: 1
Published: almost 12 years ago

10.3390/ijms131216668

Class IIa Bacteriocins: Diversity and New Developments
Cited by: 83
Author(s): Yanhua Cui, Chao Zhang, Yunfeng Wang, John Shi, Lanwei Zhang, Zhen Ding, Xiaojun Qu, Hongyu Cui
Software Mentions: 1
Published: almost 12 years ago

10.1186/s13020-020-00313-1

Predictive QSAR model confirms flavonoids in Chinese medicine can activate voltage-gated calcium (CaV) channel in osteogenesis
Cited by: 3
Author(s): Ki Chan, Ho-fung Leung, James Kit‐Hon Tsoi
Software Mentions: 1
Published: over 4 years ago

10.1186/s40169-017-0181-2

A perspective on multi‐target drug discovery and design for complex diseases
Cited by: 439
Author(s): Rona R. Ramsay, Marija R. Popović-Nikolić, Katarina Nikolić, Elisa Uliassi, María Laura Bolognesi
Software Mentions: 1
Published: almost 7 years ago

10.3390/ijms14011443

Quantitative Structure-Activity Relationships Predicting the Antioxidant Potency of 17β-Estradiol-Related Polycyclic Phenols to Inhibit Lipid Peroxidation
Cited by: 15
Author(s): László Prókai, Nilka M. Rivera‐Portalatin, Katalin Prókai-Tátrai
Software Mentions: 1
Published: almost 12 years ago