Results 141 to 150 of about 4,923 (198)

Modelling an alternative lipophilicity scale of bisphenols using biomimetic chromatography: Relevance to membrane-driven baseline toxicity. [PDF]

ADMET DMPK
Ciura K, Nicman J, Zdybel S, Russo G, Grumetto L, Greber KE, Sosnowska A, Dołżonek J, Jagiello K.   +8 more
europepmc   +1 more source

Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks. [PDF]

ACS Cent Sci
Harabuchi Y, Staub R, Gao M, Tsuji N, List B, Varnek A, Maeda S.   +6 more
europepmc   +1 more source

Combating Antibacterial Resistance: The Integrative Role of Artificial Intelligence in Bio-Based Product Development. [PDF]

Antibiotics (Basel)
Gudepu R, Sirikonda S, Banoth R, Annagowni PK, Dahariya S, Velidandi A.   +5 more
europepmc   +1 more source

A Nano Risk Governance Portal supporting risk governance of nanomaterials and nano-enabled products. [PDF]

Comput Struct Biotechnol J
Isigonis P, Bouman EA, Varsou DD, Jensen KA, Fransman W, Drobne D, Rollon BP, Ballesteros A, Rodríguez-Llopis I, Säämänen A, Afantitis A.   +10 more
europepmc   +1 more source

Catalytic Asymmetric Hydration of Alkenes. [PDF]

J Am Chem Soc
Hatano H, Fernandes VA, Mukherjee S, Zhu C, Takahira A, Jiang P, Jin M, Harabuchi Y, Staub R, Gao M, Varnek A, Maeda S, Tsuji N, List B.   +13 more
europepmc   +1 more source

Using a Novel Consensus-Based Chemoinformatics Approach to Predict ADMET Properties and Druglikeness of Tyrosine Kinase Inhibitors. [PDF]

Int J Mol Sci
Mavridis E, Hadjipavlou-Litina D.
europepmc   +1 more source

Metabolite names and identifiers: how far are we from interoperability? [PDF]

Metabolomics
Hajjar G, Giacomoni F, Umec M, Lefebvre M, Pimentel MPC, Prigent S, Cabasson C, Chagoyen M, Pétriacq P, Comte B, Pujos-Guillot E.   +10 more
europepmc   +1 more source

Predicting peroxisome proliferator-activated receptor gamma potency of small molecules: a synergistic consensus model and deep learning binding affinity approach powered by Enalos Cloud Platform. [PDF]

Mol Divers
Antoniou M, Papavasileiou KD, Tsoumanis A, Melagraki G, Afantitis A.   +4 more
europepmc   +1 more source

A novel approach to explore common prime divisor graphs and their degree based topological descriptor. [PDF]

PLoS One
Koam ANA, Haider A, Ahmad A, Ansari MA.
europepmc   +1 more source

On the biologically relevant chemical space: BioReCS

Frontiers in Drug Discovery
José L. Medina-Franco, Edgar López-López, Edgar López-López, Juan F. Avellaneda-Tamayo, William J. Zamora, William J. Zamora   +5 more
doaj   +1 more source