Results: 12
Chongwei Zhu, Albert Poater, Carine Duhayon, Brice Kauffmann, Alix Saquet, Valérie Maraval, Remi Chauvin
Carbo -biphenyls andCarbo -terphenyls: Oligo(phenylene ethynylene) RingCarbo -mers
Angew. Chem. Int. Ed., 2018, 57, 5640-5644
DOI: 10.1002/anie.201713411OpenAccess: –Keywords: Aromaticity, Computational chemistry, Density Functional Theory, Molecular similarity, Supramolecular chemistry
Jesus de Julián-Ortiz, Lionello Pogliani, Emili Besalú
Modeling Properties with Artificial Neural Networks and Multilinear Least-Squares Regression: Advantages and Drawbacks of the Two Methods
Applied Sciences, 2018, 8, 1094-
DOI: 10.3390/app8071094OpenAccess: –Keywords: Computational chemistry, Molecular similarity, Predictive Chemistry
Ramon Carbó-Dorca
Preparation of Translated, Scaled, and Rotated ATS Drugs 3D Molecular Structure for the Validation of 3D Moment Invariants-based Molecular Descriptors
EasyChair, 2018, [], []
DOI: 10.29007/lm11OpenAccess: –Keywords: Molecular similarity
Vijay Kumar, Mohit Chawla, Luigi Cavallo, AbdulBasit Wani, Anu Manhas, Sukhmanpreet Kaur, Albert Poater, Hemlata Chadar, Niraj Upadhyay
Complexation of trichlorosalicylic acid with alkaline and first row transition metals as a switch for their antibacterial activity
Inorg. Chim. Acta, 2018, 469, 379-386
DOI: 10.1016/j.ica.2017.08.064OpenAccess: –Keywords: Molecular similarity, Predictive Chemistry
Ramon Carbó-Dorca
Toward a universal quantum QSPR operator
Int J Quantum Chem, 2018, 118, e25602-
DOI: 10.1002/qua.25602OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
Boolean Hypercubes as time representation holders
J Math Chem, 2018, 56, 1349-1352
DOI: 10.1007/s10910-018-0865-xOpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
DNA, unnatural base pairs and hypercubes
J Math Chem, 2018, 56, 1353-1356
DOI: 10.1007/s10910-018-0866-9OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
Atomic thermal voltage population distributions
J Math Chem, 2018, 56, 1357-1359
DOI: 10.1007/s10910-018-0869-6OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
Thermal scaling of electronic energy expressions
J Math Chem, 2018, 56, 979-981
DOI: 10.1007/s10910-018-0864-yOpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
Statistical-like signature of molecular basis sets
J Mol Model, 2018, 24, 256
DOI: 10.1007/s00894-018-3794-5OpenAccess: –Keywords: Molecular similarity